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

Systemtic Name: 7,8-dimethoxy-3-[3-[4-phenylbutyl(prop-2-enyl)amino]propyl]-1H-3-benzazepin-2-one Openeye Name: 3-[3-[allyl(4-phenylbutyl)amino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 7,8-dimethoxy-3-[3-[4-phenylbutyl(prop-2-enyl)amino]propyl]-1H-3-benzazepin-2-one IUPAC Name: 7,8-dimethoxy-3-[3-[4-phenylbutyl(prop-2-enyl)amino]propyl]-1H-3-benzazepin-2-one Traditional Name: 3-[3-[allyl(4-phenylbutyl)amino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN(CCCCC3=CC=CC=C3)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN(CCCCC3=CC=CC=C3)CC=C)OC

InChI

InChI=1S/C28H36N2O3/c1-4-15-29(16-9-8-13-23-11-6-5-7-12-23)17-10-18-30-19-14-24-20-26(32-2)27(33-3)21-25(24)22-28(30)31/h4-7,11-12,14,19-21H,1,8-10,13,15-18,22H2,2-3H3