3-chloranyl-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2,5-dimethylphenyl)-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(2,5-dimethylphenyl)-4-(4-methylpiperazino)-3-pyrroline-2,5-quinone Formula: C17H20ClN3O2 MolecularWeight: 333.8126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O2/c1-11-4-5-12(2)13(10-11)21-16(22)14(18)15(17(21)23)20-8-6-19(3)7-9-20/h4-5,10H,6-9H2,1-3H3