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

Systemtic Name: 3-chloranyl-1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2,4-dimethylphenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(2,4-dimethylphenyl)-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C22H22ClN3O2 MolecularWeight: 395.88198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2/c1-15-8-9-18(16(2)14-15)26-21(27)19(23)20(22(26)28)25-12-10-24(11-13-25)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3