3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 3-[5-(4-dimethylaminophenyl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-3-[5-(4-dimethylaminophenyl)-2-methoxyphenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC2C1C(=O)N(C2C3=C(C=CC(=C3)C4=CC=C(C=C4)N(C)C)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1CC=CC2C1C(=O)N(C2C3=C(C=CC(=C3)C4=CC=C(C=C4)N(C)C)OC)CC5=CC=CC=C5

InChI

InChI=1S/C31H34N2O2/c1-21-9-8-12-26-29(21)31(34)33(20-22-10-6-5-7-11-22)30(26)27-19-24(15-18-28(27)35-4)23-13-16-25(17-14-23)32(2)3/h5-8,10-19,21,26,29-30H,9,20H2,1-4H3