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

Systemtic Name: methyl 2-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoylamino]propanoate Openeye Name: methyl 2-[[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]carbamoylamino]propanoate CAS Name: 2-[[[[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]amino]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoylamino]propanoate Traditional Name: 2-[[4-methyl-2-(4-methylpiperazino)-6-quinolyl]carbamoylamino]propionic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC(C)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC(C)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C20H27N5O3/c1-13-11-18(25-9-7-24(3)8-10-25)23-17-6-5-15(12-16(13)17)22-20(27)21-14(2)19(26)28-4/h5-6,11-12,14H,7-10H2,1-4H3,(H2,21,22,27)