ethyl 1-(7-chloranylquinolin-4-yl)-5-[(furan-2-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-4-yl)-5-[(furan-2-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-4-quinolyl)-5-[(2-furylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(7-chloro-4-quinolinyl)-5-[(2-furanylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-4-yl)-5-[(furan-2-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(7-chloro-4-quinolyl)-5-[(2-furfurylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC(=CC3=NC=C2)Cl)CNCC4=CC=CO4

InChI

InChI=1S/C21H19ClN4O3/c1-2-28-21(27)17-12-25-26(20(17)13-23-11-15-4-3-9-29-15)19-7-8-24-18-10-14(22)5-6-16(18)19/h3-10,12,23H,2,11,13H2,1H3