7,8-dimethoxy-3-[[1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 7,8-dimethoxy-3-[[1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[(1-homovanillyl-3-piperidyl)methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCC4=CC(=C(C=C4)O)OC)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCC4=CC(=C(C=C4)O)OC)OC

InChI

InChI=1S/C27H36N2O5/c1-32-24-13-19(6-7-23(24)30)8-11-28-10-4-5-20(17-28)18-29-12-9-21-14-25(33-2)26(34-3)15-22(21)16-27(29)31/h6-7,13-15,20,30H,4-5,8-12,16-18H2,1-3H3