N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

InChI

InChI=1S/C24H31N3O2S/c1-18-6-8-21(9-7-18)27-16-20(14-23(27)28)24(29)25-15-22(19-10-13-30-17-19)26-11-4-2-3-5-12-26/h6-10,13,17,20,22H,2-5,11-12,14-16H2,1H3,(H,25,29)