2-[(3-chlorophenyl)methyl]-4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3-chlorophenyl)methyl]-4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3-chlorophenyl)methyl]-4-[4-(4-cyclohexylpiperazine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[(3-chlorophenyl)methyl]-4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[(3-chlorophenyl)methyl]-4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-chlorobenzyl)-4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C31H37ClN4O3 MolecularWeight: 549.10348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC(=CC=C6)Cl

InChI

InChI=1S/C31H37ClN4O3/c32-24-7-4-6-22(20-24)21-36-30(38)26-10-5-11-27(28(26)31(36)39)34-14-12-23(13-15-34)29(37)35-18-16-33(17-19-35)25-8-2-1-3-9-25/h4-7,10-11,20,23,25H,1-3,8-9,12-19,21H2