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

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-prop-2-enyl-amino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[3-[allyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-prop-2-enylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-prop-2-enylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-[3-[allyl(homoveratryl)amino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C28H36N2O5 MolecularWeight: 480.59584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CCCN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CCCN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)CC=C)OC

InChI

InChI=1S/C28H36N2O5/c1-6-12-29(15-10-21-8-9-24(32-2)25(17-21)33-3)13-7-14-30-16-11-22-18-26(34-4)27(35-5)19-23(22)20-28(30)31/h6,8-9,11,16-19H,1,7,10,12-15,20H2,2-5H3