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

Systemtic Name: 3-chloranyl-1-(2,3-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(2,3-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2,3-dimethylphenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(2,3-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(2,3-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=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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