WSH

BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE


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Chemical Component Summary

NameBENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE
Identifiersphenylmethyl N-[(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
FormulaC25 H21 N5 O2
Molecular Weight423.467
TypeNON-POLYMER
Isomeric SMILESCc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5
InChIInChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
InChIKeyTUWDLUFFAHHNEF-QHCPKHFHSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count57
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL1738926
PubChem 53318989
ChEMBL CHEMBL1738926