ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-phenylthiazol-2-yl)-5-[(3-pyridylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(4-phenyl-2-thiazolyl)-5-[(3-pyridinylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-[(pyridin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-phenylthiazol-2-yl)-5-[(3-pyridylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CNCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CNCC4=CN=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-2-29-21(28)18-13-25-27(20(18)14-24-12-16-7-6-10-23-11-16)22-26-19(15-30-22)17-8-4-3-5-9-17/h3-11,13,15,24H,2,12,14H2,1H3