3-chloranyl-1-(3,5-dimethylphenyl)-4-[4-(diphenylmethyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(3,5-dimethylphenyl)-4-[4-(diphenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-4-chloro-1-(3,5-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3,5-dimethylphenyl)-4-[4-(diphenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-4-chloro-1-(3,5-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazino)-4-chloro-1-(3,5-dimethylphenyl)-3-pyrroline-2,5-quinone Formula: C29H28ClN3O2 MolecularWeight: 486.00452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H28ClN3O2/c1-20-17-21(2)19-24(18-20)33-28(34)25(30)27(29(33)35)32-15-13-31(14-16-32)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,26H,13-16H2,1-2H3