5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxidanylidene-3-(4-phenylazepan-1-yl)propyl]pyrrolidin-2-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxidanylidene-3-(4-phenylazepan-1-yl)propyl]pyrrolidin-2-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-(4-phenylazepan-1-yl)propyl]pyrrolidin-2-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-(4-phenyl-1-azepanyl)propyl]-2-pyrrolidinone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-[3-oxo-3-(4-phenylazepan-1-yl)propyl]pyrrolidin-2-one Traditional Name: 5-[3-keto-3-(4-phenylazepan-1-yl)propyl]-5-piperonyl-2-pyrrolidone Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)CCC2(CCC(=O)N2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCN(C1)C(=O)CCC2(CCC(=O)N2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N2O4/c30-25-10-13-27(28-25,18-20-8-9-23-24(17-20)33-19-32-23)14-11-26(31)29-15-4-7-22(12-16-29)21-5-2-1-3-6-21/h1-3,5-6,8-9,17,22H,4,7,10-16,18-19H2,(H,28,30)