3-[4-(diphenylmethyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-benzhydrylpiperazino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C30H30N2O2 MolecularWeight: 450.5714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C30H30N2O2/c1-20-18-22(3)25(19-21(20)2)26-28(30(34)29(26)33)32-16-14-31(15-17-32)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,18-19,27H,14-17H2,1-3H3