2-[(4-methoxyphenyl)methyl]-4-[4-(3-phenylbutyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(3-phenylbutyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(3-phenylbutyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(3-phenylbutyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(3-phenylbutyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-p-anisyl-4-[4-(3-phenylbutyl)piperazino]isoindoline-1,3-quinone Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC(CCN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C30H33N3O3/c1-22(24-7-4-3-5-8-24)15-16-31-17-19-32(20-18-31)27-10-6-9-26-28(27)30(35)33(29(26)34)21-23-11-13-25(36-2)14-12-23/h3-14,22H,15-21H2,1-2H3