3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide CAS Name: 3-[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-N-(4-chlorophenyl)-1-piperidinecarboxamide IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-3-[3-(piperonylcarbamoyl)phenyl]piperidine-1-carboxamide Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26ClN3O4/c28-22-7-9-23(10-8-22)30-27(33)31-12-2-5-21(16-31)19-3-1-4-20(14-19)26(32)29-15-18-6-11-24-25(13-18)35-17-34-24/h1,3-4,6-11,13-14,21H,2,5,12,15-17H2,(H,29,32)(H,30,33)