2-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[4-[(1R)-1-phenylethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(4-ethoxy-3-methoxy-benzyl)-4-[4-[(1R)-1-phenylethyl]piperazino]isoindoline-1,3-quinone Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(C)C5=CC=CC=C5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)[C@H](C)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H33N3O4/c1-4-37-26-14-13-22(19-27(26)36-3)20-33-29(34)24-11-8-12-25(28(24)30(33)35)32-17-15-31(16-18-32)21(2)23-9-6-5-7-10-23/h5-14,19,21H,4,15-18,20H2,1-3H3/t21-/m1/s1