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

Systemtic Name: 3-chloranyl-1-(4-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-methoxyphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(4-methoxyphenyl)-4-[4-(2-pyrimidyl)piperazino]-3-pyrroline-2,5-quinone Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H18ClN5O3/c1-28-14-5-3-13(4-6-14)25-17(26)15(20)16(18(25)27)23-9-11-24(12-10-23)19-21-7-2-8-22-19/h2-8H,9-12H2,1H3