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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)OC1

InChI

InChI=1S/C22H23ClN2O4/c23-17-4-2-16(3-5-17)22(27)25-10-8-15(9-11-25)21(26)24-18-6-7-19-20(14-18)29-13-1-12-28-19/h2-7,14-15H,1,8-13H2,(H,24,26)