ethyl 1-(2-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(2-chlorophenyl)-5-[[3-(1-imidazolyl)propylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)CNCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)CNCCCN3C=CN=C3

InChI

InChI=1S/C19H22ClN5O2/c1-2-27-19(26)15-12-23-25(17-7-4-3-6-16(17)20)18(15)13-21-8-5-10-24-11-9-22-14-24/h3-4,6-7,9,11-12,14,21H,2,5,8,10,13H2,1H3