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

Systemtic Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7-methoxy-8-oxidanyl-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-8-hydroxy-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-8-hydroxy-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-8-hydroxy-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[(1-homoveratryl-3-piperidyl)methyl]-8-hydroxy-7-methoxy-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=C(C=C1)CCN2CCCC(C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCCC(C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)O)OC

InChI

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