3-(4-methylphenyl)-4-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylphenyl)-4-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[1-(m-tolylmethyl)-4-piperidyl]methylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methylphenyl)-4-[[1-[(3-methylphenyl)methyl]-4-piperidinyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-methylphenyl)-4-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[1-(3-methylbenzyl)-4-piperidyl]methylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3CCN(CC3)CC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3CCN(CC3)CC4=CC=CC(=C4)C

InChI

InChI=1S/C25H28N2O2/c1-17-6-8-21(9-7-17)22-23(25(29)24(22)28)26-15-19-10-12-27(13-11-19)16-20-5-3-4-18(2)14-20/h3-9,14,19,26H,10-13,15-16H2,1-2H3