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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O4/c28-23-13-17(15-27(23)18-9-10-21-22(14-18)31-16-30-21)24(29)25-19-7-3-4-8-20(19)26-11-5-1-2-6-12-26/h3-4,7-10,14,17H,1-2,5-6,11-13,15-16H2,(H,25,29)