ethyl 5-[(3-oxidanylidenecyclohexen-1-yl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-oxidanylidenecyclohexen-1-yl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylate CAS Name: 5-[(3-oxo-1-cyclohexenyl)amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2)NC3=CC(=O)CCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2)NC3=CC(=O)CCC3

InChI

InChI=1S/C19H21N3O3/c1-2-25-19(24)17-12-20-22(13-14-7-4-3-5-8-14)18(17)21-15-9-6-10-16(23)11-15/h3-5,7-8,11-12,21H,2,6,9-10,13H2,1H3