(3E)-3-[4-[(3-oxidanylidene-4-phenyl-piperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[4-[(3-oxidanylidene-4-phenyl-piperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(3-oxo-4-phenyl-piperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[(3-oxo-4-phenyl-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(3-oxo-4-phenylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[(3-keto-4-phenyl-piperazino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C27H22N6O MolecularWeight: 446.50318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32)C6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)CN1CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32)C6=CC=CC=C6

InChI

InChI=1S/C27H22N6O/c28-15-18-9-10-21-24(13-18)30-31-27(21)25-14-22-19(5-4-8-23(22)29-25)16-32-11-12-33(26(34)17-32)20-6-2-1-3-7-20/h1-10,13-14,30-31H,11-12,16-17H2/b27-25+