3-[3-[2-(1-benzofuran-2-yl)ethyl-prop-2-enyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[2-(1-benzofuran-2-yl)ethyl-prop-2-enyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[allyl-[2-(benzofuran-2-yl)ethyl]amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(2-benzofuranyl)ethyl-prop-2-enylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(1-benzofuran-2-yl)ethyl-prop-2-enylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[allyl-[2-(benzofuran-2-yl)ethyl]amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CCCN(CCC3=CC4=CC=CC=C4O3)CC=C)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CCCN(CCC3=CC4=CC=CC=C4O3)CC=C)OC

InChI

InChI=1S/C28H34N2O4/c1-4-12-29(15-11-24-17-22-8-5-6-9-25(22)34-24)13-7-14-30-16-10-21-18-26(32-2)27(33-3)19-23(21)20-28(30)31/h4-6,8-9,17-19H,1,7,10-16,20H2,2-3H3