1-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]piperazine-2,5-dione

Systemtic Name: 1-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]piperazine-2,5-dione Openeye Name: 1-[3-(aminomethyl)-2-isobutyl-4-(p-tolyl)-6-quinolyl]piperazine-2,5-dione CAS Name: 1-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-quinolinyl]piperazine-2,5-dione IUPAC Name: 1-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]piperazine-2,5-dione Traditional Name: 1-[3-(aminomethyl)-2-isobutyl-4-(p-tolyl)-6-quinolyl]piperazine-2,5-quinone Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CN)CC(C)C)N4CC(=O)NCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CN)CC(C)C)N4CC(=O)NCC4=O

InChI

InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)