3-(4-methylphenyl)-4-[3-(3-methylpiperidin-1-yl)propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylphenyl)-4-[3-(3-methylpiperidin-1-yl)propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-(3-methyl-1-piperidyl)propylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methylphenyl)-4-[3-(3-methyl-1-piperidinyl)propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-methylphenyl)-4-[3-(3-methylpiperidin-1-yl)propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-(3-methylpiperidino)propylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCNC2=C(C(=O)C2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCN(C1)CCCNC2=C(C(=O)C2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N2O2/c1-14-6-8-16(9-7-14)17-18(20(24)19(17)23)21-10-4-12-22-11-3-5-15(2)13-22/h6-9,15,21H,3-5,10-13H2,1-2H3