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

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-benzyl-1-piperidyl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(phenylmethyl)-1-piperidinyl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-benzylpiperidin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-benzylpiperidino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCC(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCC(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H27NO2/c1-16-13-18(3)21(14-17(16)2)22-23(25(28)24(22)27)26-11-9-20(10-12-26)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3