methyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoylamino]benzoate

Systemtic Name: methyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoylamino]benzoate Openeye Name: methyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]carbamoylamino]benzoate CAS Name: 4-[[[[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoylamino]benzoate Traditional Name: 4-[[4-methyl-2-(4-methylpiperazino)-6-quinolyl]carbamoylamino]benzoic acid methyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)OC)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=O)OC)N4CCN(CC4)C

InChI

InChI=1S/C24H27N5O3/c1-16-14-22(29-12-10-28(2)11-13-29)27-21-9-8-19(15-20(16)21)26-24(31)25-18-6-4-17(5-7-18)23(30)32-3/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,31)