4-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]piperazin-2-one

Systemtic Name: 4-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]piperazin-2-one Openeye Name: 4-[3-(aminomethyl)-2-isobutyl-4-(p-tolyl)-6-quinolyl]piperazin-2-one CAS Name: 4-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-quinolinyl]-2-piperazinone IUPAC Name: 4-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]piperazin-2-one Traditional Name: 4-[3-(aminomethyl)-2-isobutyl-4-(p-tolyl)-6-quinolyl]piperazin-2-one Formula: C25H30N4O MolecularWeight: 402.5319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CN)CC(C)C)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CN)CC(C)C)N4CCNC(=O)C4

InChI

InChI=1S/C25H30N4O/c1-16(2)12-23-21(14-26)25(18-6-4-17(3)5-7-18)20-13-19(8-9-22(20)28-23)29-11-10-27-24(30)15-29/h4-9,13,16H,10-12,14-15,26H2,1-3H3,(H,27,30)