3-chloranyl-1-(3-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(3-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(m-tolyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3-methylphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(3-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(m-tolyl)-4-[4-(2-pyrimidyl)piperazino]-3-pyrroline-2,5-quinone Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H18ClN5O2/c1-13-4-2-5-14(12-13)25-17(26)15(20)16(18(25)27)23-8-10-24(11-9-23)19-21-6-3-7-22-19/h2-7,12H,8-11H2,1H3