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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S/c1-18-7-8-22(13-19(18)2)28-16-21(14-24(28)29)25(30)26-15-23(20-9-12-31-17-20)27-10-5-3-4-6-11-27/h7-9,12-13,17,21,23H,3-6,10-11,14-16H2,1-2H3,(H,26,30)