ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-[[[(2R)-tetrahydrofuran-2-yl]methylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-[[[(2R)-2-oxolanyl]methylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[[[(2R)-tetrahydrofuran-2-yl]methylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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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)CNCC4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNC[C@H]4CCCO4

InChI

InChI=1S/C22H26N4O4/c1-3-29-22(28)17-13-24-26(20(17)14-23-12-15-7-6-10-30-15)19-11-21(27)25(2)18-9-5-4-8-16(18)19/h4-5,8-9,11,13,15,23H,3,6-7,10,12,14H2,1-2H3/t15-/m1/s1