MPY

(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE


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Chemical Component Summary

Name(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE
Identifiers(3E)-N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]carbonylimino-pyrrolo[3,4-d]pyrazole-5-carboxamide
FormulaC28 H31 N7 O2
Molecular Weight497.591
TypeNON-POLYMER
Isomeric SMILESCCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC
InChIInChI=1S/C28H31N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,37)/b30-26+
InChIKeyWUWKQGPEIAHGLN-URGPHPNLSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count0
Bond Count72
Aromatic Bond Count17