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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-keto-1-phenyl-pyrrolidine-3-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C23H29N3O2S/c27-22-14-19(16-26(22)20-8-4-3-5-9-20)23(28)24-15-21(18-10-13-29-17-18)25-11-6-1-2-7-12-25/h3-5,8-10,13,17,19,21H,1-2,6-7,11-12,14-16H2,(H,24,28)