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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O2/c30-25-27(29(35)33(28(25)34)17-16-22-10-4-1-5-11-22)32-20-18-31(19-21-32)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2