ethyl 5-[(2-imidazol-1-ylethylamino)methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-imidazol-1-ylethylamino)methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-imidazol-1-ylethylamino)methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[2-(1-imidazolyl)ethylamino]methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-imidazol-1-ylethylamino)methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[(2-imidazol-1-ylethylamino)methyl]-1-(2-keto-1-methyl-4-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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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)CNCCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCCN4C=CN=C4

InChI

InChI=1S/C22H24N6O3/c1-3-31-22(30)17-13-25-28(20(17)14-23-8-10-27-11-9-24-15-27)19-12-21(29)26(2)18-7-5-4-6-16(18)19/h4-7,9,11-13,15,23H,3,8,10,14H2,1-2H3