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

Systemtic Name: 3-chloranyl-1-(4-methylphenyl)-4-[(3S)-3-methylpiperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-chloro-4-[(3S)-3-methylpiperazin-1-yl]-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-methylphenyl)-4-[(3S)-3-methyl-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-methylphenyl)-4-[(3S)-3-methylpiperazin-1-yl]pyrrole-2,5-dione Traditional Name: 3-chloro-4-[(3S)-3-methylpiperazino]-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

C[C@H]1CN(CCN1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-10-3-5-12(6-4-10)20-15(21)13(17)14(16(20)22)19-8-7-18-11(2)9-19/h3-6,11,18H,7-9H2,1-2H3/t11-/m0/s1