3-chloranyl-1-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(m-tolyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3-methylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-4-chloro-1-(m-tolyl)-3-pyrroline-2,5-quinone Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O2/c1-16-6-5-9-18(14-16)26-21(27)19(23)20(22(26)28)25-12-10-24(11-13-25)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3