1-[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]-N-phenyl-isonipecotamide Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C24H25ClN2O4/c25-20-15-17(16-21-23(20)31-14-4-13-30-21)7-8-22(28)27-11-9-18(10-12-27)24(29)26-19-5-2-1-3-6-19/h1-3,5-8,15-16,18H,4,9-14H2,(H,26,29)/b8-7+