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

Systemtic Name: 1-(3-bromophenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrrolidin-2-one Openeye Name: 1-(3-bromophenyl)-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one CAS Name: 1-(3-bromophenyl)-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-(3-bromophenyl)-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one Traditional Name: 1-(3-bromophenyl)-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]-2-pyrrolidone Formula: C21H24BrN3O2S MolecularWeight: 462.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C21H24BrN3O2S/c22-17-4-1-5-18(13-17)25-14-16(12-20(25)26)21(27)24-8-3-7-23(9-10-24)15-19-6-2-11-28-19/h1-2,4-6,11,13,16H,3,7-10,12,14-15H2