1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(p-tolyl)propan-1-one CAS Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(p-tolyl)propan-1-one Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H31NO5/c1-19-5-7-20(8-6-19)9-12-27(30)29-13-14-34-28-23(18-29)15-22(17-26(28)33-4)21-10-11-24(31-2)25(16-21)32-3/h5-8,10-11,15-17H,9,12-14,18H2,1-4H3