1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]isonipecotamide Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)OC1

InChI

InChI=1S/C25H28N2O4/c28-24(10-8-19-7-9-22-23(17-19)31-16-4-15-30-22)27-13-11-21(12-14-27)25(29)26-18-20-5-2-1-3-6-20/h1-3,5-10,17,21H,4,11-16,18H2,(H,26,29)/b10-8+