(3R)-1-(4-chlorophenyl)carbonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(4-chlorophenyl)carbonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-carboxamide Openeye Name: (3R)-1-(4-chlorobenzoyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-carboxamide CAS Name: (3R)-1-[(4-chlorophenyl)-oxomethyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(4-chlorobenzoyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-carboxamide Traditional Name: (3R)-1-(4-chlorobenzoyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nipecotamide Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23ClN2O4/c23-17-6-4-15(5-7-17)22(27)25-10-1-3-16(14-25)21(26)24-18-8-9-19-20(13-18)29-12-2-11-28-19/h4-9,13,16H,1-3,10-12,14H2,(H,24,26)/t16-/m1/s1