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

Systemtic Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-ethyl-3H-isoindol-1-one Openeye Name: 3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-ethyl-isoindolin-1-one CAS Name: 3-[4-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]anilino]-2-ethyl-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-ethyl-3H-isoindol-1-one Traditional Name: 3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-ethyl-isoindolin-1-one Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H27ClN4O2/c1-2-32-25(21-7-3-4-8-22(21)27(32)34)29-20-13-11-19(12-14-20)26(33)31-17-15-30(16-18-31)24-10-6-5-9-23(24)28/h3-14,25,29H,2,15-18H2,1H3