ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-[(3-pyridylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-[(3-pyridinylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[(3-pyridylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CN=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-3-31-23(30)18-14-26-28(21(18)15-25-13-16-7-6-10-24-12-16)20-11-22(29)27(2)19-9-5-4-8-17(19)20/h4-12,14,25H,3,13,15H2,1-2H3