3-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propan-2-yl-3H-isoindol-1-one

Systemtic Name: 3-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propan-2-yl-3H-isoindol-1-one Openeye Name: 3-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-isopropyl-isoindolin-1-one CAS Name: 3-[4-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-propan-2-yl-3H-isoindol-1-one Traditional Name: 2-isopropyl-3-[4-(4-o-phenetylpiperazine-1-carbonyl)anilino]isoindolin-1-one Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4C(C)C

InChI

InChI=1S/C30H34N4O3/c1-4-37-27-12-8-7-11-26(27)32-17-19-33(20-18-32)29(35)22-13-15-23(16-14-22)31-28-24-9-5-6-10-25(24)30(36)34(28)21(2)3/h5-16,21,28,31H,4,17-20H2,1-3H3