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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-1-yl]-1-(3-nitrophenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazinyl]-1-(3-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazino)-4-chloro-1-(3-nitrophenyl)-3-pyrroline-2,5-quinone Formula: C27H23ClN4O4 MolecularWeight: 502.94892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O4/c28-23-25(27(34)31(26(23)33)21-12-7-13-22(18-21)32(35)36)30-16-14-29(15-17-30)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,24H,14-17H2