3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-8-methoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-8-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-8-methoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-8-methoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-8-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[(1-homoveratryl-3-piperidyl)methyl]-8-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(=O)N(CC2)CC3CCCN(C3)CCC4=CC(=C(C=C4)OC)OC)C=C1

Isomeric SMILES

COC1=CC2=C(CC(=O)N(CC2)CC3CCCN(C3)CCC4=CC(=C(C=C4)OC)OC)C=C1

InChI

InChI=1S/C27H36N2O4/c1-31-24-8-7-22-17-27(30)29(14-11-23(22)16-24)19-21-5-4-12-28(18-21)13-10-20-6-9-25(32-2)26(15-20)33-3/h6-9,15-16,21H,4-5,10-14,17-19H2,1-3H3