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

Systemtic Name: 3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(3,4-dichlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(3,4-dichlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(3,4-dichlorophenyl)-4-[4-(2-pyrimidyl)piperazino]-3-pyrroline-2,5-quinone Formula: C18H14Cl3N5O2 MolecularWeight: 438.69506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H14Cl3N5O2/c19-12-3-2-11(10-13(12)20)26-16(27)14(21)15(17(26)28)24-6-8-25(9-7-24)18-22-4-1-5-23-18/h1-5,10H,6-9H2