(2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazole

Systemtic Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazole Openeye Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazole CAS Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazole IUPAC Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-nitro-1,2-dihydroindazol-3-ylidene)benzimidazole Traditional Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-nitroindazolin-3-ylidene)benzimidazole Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC3=NC(=C4C5=C(C=CC(=C5)[N+](=O)[O-])NN4)N=C3C=C2

Isomeric SMILES

CN1CCCN(CC1)C2=CC3=N/C(=C\4/C5=C(C=CC(=C5)[N+](=O)[O-])NN4)/N=C3C=C2

InChI

InChI=1S/C20H21N7O2/c1-25-7-2-8-26(10-9-25)13-3-6-17-18(12-13)22-20(21-17)19-15-11-14(27(28)29)4-5-16(15)23-24-19/h3-6,11-12,23-24H,2,7-10H2,1H3/b20-19-