7,8-dimethoxy-3-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-4,9a-dihydro-1H-3-benzazepin-2-one

Systemtic Name: 7,8-dimethoxy-3-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-4,9a-dihydro-1H-3-benzazepin-2-one Openeye Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-4,9a-dihydro-1H-3-benzazepin-2-one CAS Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-7,8-dimethoxy-4,9a-dihydro-1H-3-benzazepin-2-one IUPAC Name: 3-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-4,9a-dihydro-1H-3-benzazepin-2-one Traditional Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-4,9a-dihydro-1H-3-benzazepin-2-one Formula: C33H42N2O5 MolecularWeight: 546.69698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CN4CC=C5C=C(C(=CC5CC4=O)OC)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CN4CC=C5C=C(C(=CC5CC4=O)OC)OC)O

InChI

InChI=1S/C33H42N2O5/c1-38-29-10-11-30-25(8-6-9-26(30)16-29)15-28(36)22-34-13-5-4-7-23(20-34)21-35-14-12-24-17-31(39-2)32(40-3)18-27(24)19-33(35)37/h6,8-12,16-18,23,27-28,36H,4-5,7,13-15,19-22H2,1-3H3