4-[6-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-1H-benzimidazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[6-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-1H-benzimidazol-2-yl]benzenecarbonitrile Openeye Name: 4-[6-(4-methyl-1,4-diazepane-1-carbonyl)-1H-benzimidazol-2-yl]benzonitrile CAS Name: 4-[6-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-1H-benzimidazol-2-yl]benzonitrile IUPAC Name: 4-[6-(4-methyl-1,4-diazepane-1-carbonyl)-1H-benzimidazol-2-yl]benzonitrile Traditional Name: 4-[6-(4-methyl-1,4-diazepane-1-carbonyl)-1H-benzimidazol-2-yl]benzonitrile Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N5O/c1-25-9-2-10-26(12-11-25)21(27)17-7-8-18-19(13-17)24-20(23-18)16-5-3-15(14-22)4-6-16/h3-8,13H,2,9-12H2,1H3,(H,23,24)