1-(2,3-dimethylphenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one Openeye Name: 1-(2,3-dimethylphenyl)-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one CAS Name: 1-(2,3-dimethylphenyl)-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-(2,3-dimethylphenyl)-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one Traditional Name: 1-(2,3-dimethylphenyl)-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-2-pyrrolidone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCCN(CC3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCCN(CC3)CC4=CC=CS4)C

InChI

InChI=1S/C23H29N3O2S/c1-17-6-3-8-21(18(17)2)26-15-19(14-22(26)27)23(28)25-10-5-9-24(11-12-25)16-20-7-4-13-29-20/h3-4,6-8,13,19H,5,9-12,14-16H2,1-2H3