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

Systemtic Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CC4=CC=CC=C4CC3C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CC4=CC=CC=C4CC3C(=O)N)OC1

InChI

InChI=1S/C22H22N2O4/c23-22(26)18-13-16-4-1-2-5-17(16)14-24(18)21(25)9-7-15-6-8-19-20(12-15)28-11-3-10-27-19/h1-2,4-9,12,18H,3,10-11,13-14H2,(H2,23,26)/b9-7+