(3Z)-3-[5-(4-methyl-1,4-diazepan-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3Z)-3-[5-(4-methyl-1,4-diazepan-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3Z)-3-[5-(4-methyl-1,4-diazepan-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3Z)-3-[5-(4-methyl-1,4-diazepan-1-yl)-2-benzimidazolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3Z)-3-[5-(4-methyl-1,4-diazepan-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3Z)-3-[5-(4-methyl-1,4-diazepan-1-yl)benzimidazol-2-ylidene]indazoline-6-carbonitrile Formula: C21H21N7 MolecularWeight: 371.43834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

CN1CCCN(CC1)C2=CC3=N/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

InChI=1S/C21H21N7/c1-27-7-2-8-28(10-9-27)15-4-6-17-19(12-15)24-21(23-17)20-16-5-3-14(13-22)11-18(16)25-26-20/h3-6,11-12,25-26H,2,7-10H2,1H3/b21-20-