1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(3-phenylpiperidin-1-yl)azepan-2-one

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(3-phenylpiperidin-1-yl)azepan-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3-phenyl-1-piperidyl)azepan-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3-phenyl-1-piperidinyl)-2-azepanone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3-phenylpiperidin-1-yl)azepan-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3-phenylpiperidino)azepan-2-one Formula: C25H29ClN2O3 MolecularWeight: 440.96236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H29ClN2O3/c26-22-14-24-23(30-17-31-24)13-20(22)16-28-12-10-21(8-9-25(28)29)27-11-4-7-19(15-27)18-5-2-1-3-6-18/h1-3,5-6,13-14,19,21H,4,7-12,15-17H2