2-[2-(3-methoxyphenyl)ethyl]-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methoxyphenyl)ethyl]-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-[2-(3-methoxyphenyl)ethyl]-4-(4-pyrazinoylpiperazino)isoindoline-1,3-quinone Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=NC=CN=C5

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C26H25N5O4/c1-35-19-5-2-4-18(16-19)8-11-31-24(32)20-6-3-7-22(23(20)26(31)34)29-12-14-30(15-13-29)25(33)21-17-27-9-10-28-21/h2-7,9-10,16-17H,8,11-15H2,1H3