3-(cyclopropylamino)-4-[4-[8-(4-methylphenyl)quinolin-2-yl]piperazin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclopropylamino)-4-[4-[8-(4-methylphenyl)quinolin-2-yl]piperazin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclopropylamino)-4-[4-[8-(p-tolyl)-2-quinolyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclopropylamino)-4-[4-[8-(4-methylphenyl)-2-quinolinyl]-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclopropylamino)-4-[4-[8-(4-methylphenyl)quinolin-2-yl]piperazin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclopropylamino)-4-[4-[8-(p-tolyl)-2-quinolyl]piperazino]cyclobut-3-ene-1,2-quinone Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)C5=C(C(=O)C5=O)NC6CC6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)C5=C(C(=O)C5=O)NC6CC6

InChI

InChI=1S/C27H26N4O2/c1-17-5-7-18(8-6-17)21-4-2-3-19-9-12-22(29-23(19)21)30-13-15-31(16-14-30)25-24(26(32)27(25)33)28-20-10-11-20/h2-9,12,20,28H,10-11,13-16H2,1H3