N-[2-(azepan-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C25H31N3O3/c1-2-31-21-13-11-20(12-14-21)28-18-19(17-24(28)29)25(30)26-22-9-5-6-10-23(22)27-15-7-3-4-8-16-27/h5-6,9-14,19H,2-4,7-8,15-18H2,1H3,(H,26,30)