4-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one

Systemtic Name: 4-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one Openeye Name: 4-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]-1-(m-tolyl)pyrrolidin-2-one CAS Name: 4-[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]-1-(3-methylphenyl)-2-pyrrolidinone IUPAC Name: 4-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one Traditional Name: 4-[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]-1-(m-tolyl)-2-pyrrolidone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCC(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCC(=O)N5CCCCCC5

InChI

InChI=1S/C27H32N4O2/c1-20-9-8-10-22(17-20)31-19-21(18-26(31)33)27-28-23-11-4-5-12-24(23)30(27)16-13-25(32)29-14-6-2-3-7-15-29/h4-5,8-12,17,21H,2-3,6-7,13-16,18-19H2,1H3