2-[3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3-chloro-4-methyl-phenyl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-15-6-7-16(14-19(15)23)24-10-12-25(13-11-24)20(27)8-9-26-21(28)17-4-2-3-5-18(17)22(26)29/h2-7,14H,8-13H2,1H3