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

Systemtic Name: (2Z)-2-(5-ethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Openeye Name: (2Z)-2-(5-ethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole CAS Name: (2Z)-2-(5-ethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole IUPAC Name: (2Z)-2-(5-ethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Traditional Name: (2Z)-2-(5-ethoxyindazolin-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NNC2=C3N=C4C=CC(=CC4=N3)N5CCCN(CC5)C

Isomeric SMILES

CCOC1=CC\2=C(C=C1)NN/C2=C\3/N=C4C=CC(=CC4=N3)N5CCCN(CC5)C

InChI

InChI=1S/C22H26N6O/c1-3-29-16-6-8-18-17(14-16)21(26-25-18)22-23-19-7-5-15(13-20(19)24-22)28-10-4-9-27(2)11-12-28/h5-8,13-14,25-26H,3-4,9-12H2,1-2H3/b22-21-