N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]carbonylimino-pyrrolo[3,4-c]pyrazole-5-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]carbonylimino-pyrrolo[3,4-c]pyrazole-5-carboxamide Openeye Name: N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)benzoyl]imino-pyrrolo[3,4-c]pyrazole-5-carboxamide CAS Name: N-(2,6-diethylphenyl)-3-[[4-(4-methyl-1-piperazinyl)phenyl]-oxomethyl]imino-5-pyrrolo[3,4-c]pyrazolecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)benzoyl]iminopyrrolo[3,4-c]pyrazole-5-carboxamide Traditional Name: N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazino)benzoyl]imino-pyrrolo[3,4-c]pyrazole-5-carboxamide Formula: C28H31N7O2 MolecularWeight: 497.59144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2C=C3C(=C2)N=NC3=NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2C=C3C(=C2)N=NC3=NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=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)