2-butyl-5-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(2-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(2-chlorophenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(2-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H24ClN3O3/c1-2-3-10-27-22(29)17-9-8-16(15-18(17)23(27)30)21(28)26-13-11-25(12-14-26)20-7-5-4-6-19(20)24/h4-9,15H,2-3,10-14H2,1H3