7-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-4,5-dimethyl-isoindole-1,3-dione

Systemtic Name: 7-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-4,5-dimethyl-isoindole-1,3-dione Openeye Name: 7-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-4,5-dimethyl-isoindoline-1,3-dione CAS Name: 7-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-4,5-dimethylisoindole-1,3-dione IUPAC Name: 7-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-4,5-dimethylisoindole-1,3-dione Traditional Name: 7-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-4,5-dimethyl-isoindoline-1,3-quinone Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1)CC3CCCCN(C3)CC(CC4=CC=CC5=C4C=CC(=C5)OC)O)C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C2=C(C(=C1)CC3CCCCN(C3)CC(CC4=CC=CC5=C4C=CC(=C5)OC)O)C(=O)NC2=O)C

InChI

InChI=1S/C31H36N2O4/c1-19-13-24(29-28(20(19)2)30(35)32-31(29)36)14-21-7-4-5-12-33(17-21)18-25(34)15-22-8-6-9-23-16-26(37-3)10-11-27(22)23/h6,8-11,13,16,21,25,34H,4-5,7,12,14-15,17-18H2,1-3H3,(H,32,35,36)