(3S)-1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(7-chloro-1,3-benzodioxole-5-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(7-chloro-1,3-benzodioxole-5-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(7-chloropiperonyloyl)-N-phenyl-nipecotamide Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H19ClN2O4/c21-16-9-14(10-17-18(16)27-12-26-17)20(25)23-8-4-5-13(11-23)19(24)22-15-6-2-1-3-7-15/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,22,24)/t13-/m0/s1