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

Systemtic Name: 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]-4,9a-dihydro-1H-3-benzazepin-2-one CAS Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-4,9a-dihydro-1H-3-benzazepin-2-one IUPAC Name: 3-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-4,9a-dihydro-1H-3-benzazepin-2-one Traditional Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-4,9a-dihydro-1H-3-benzazepin-2-one Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O3/c1-36-29-12-13-30-26(10-6-11-27(30)18-29)17-28(34)22-32-15-5-4-7-23(20-32)21-33-16-14-24-8-2-3-9-25(24)19-31(33)35/h2-3,6,8-14,18,23,25,28,34H,4-5,7,15-17,19-22H2,1H3