2-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-5,6-dimethyl-3H-isoindol-1-one

Systemtic Name: 2-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-5,6-dimethyl-3H-isoindol-1-one Openeye Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-5,6-dimethyl-isoindolin-1-one CAS Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-5,6-dimethyl-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-5,6-dimethyl-3H-isoindol-1-one Traditional Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-5,6-dimethyl-isoindolin-1-one Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CC3CCCCN(C3)CC(CC4=CC=CC5=C4C=CC(=C5)OC)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CC3CCCCN(C3)CC(CC4=CC=CC5=C4C=CC(=C5)OC)O)C

InChI

InChI=1S/C31H38N2O3/c1-21-13-26-19-33(31(35)30(26)14-22(21)2)18-23-7-4-5-12-32(17-23)20-27(34)15-24-8-6-9-25-16-28(36-3)10-11-29(24)25/h6,8-11,13-14,16,23,27,34H,4-5,7,12,15,17-20H2,1-3H3