2-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H26ClN3O3/c26-18-4-3-5-20(16-18)27-12-14-28(15-13-27)23(30)17-8-10-19(11-9-17)29-24(31)21-6-1-2-7-22(21)25(29)32/h3-5,8-11,16,21-22H,1-2,6-7,12-15H2