(3E)-3-[5-[(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[5-[(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[5-[(5-keto-4-methyl-1,4-diazepan-1-yl)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCC1=O)CC2=CC3=CC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

CN1CCN(CCC1=O)CC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

InChI=1S/C23H22N6O/c1-28-8-9-29(7-6-22(28)30)14-16-3-5-19-17(10-16)12-21(25-19)23-18-4-2-15(13-24)11-20(18)26-27-23/h2-5,10-12,26-27H,6-9,14H2,1H3/b23-21+