[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C24H21N3O3 MolecularWeight: 399.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3/c1-17(23(28)26-22-13-7-11-19-10-5-6-12-21(19)22)30-24(29)20-14-25-27(16-20)15-18-8-3-2-4-9-18/h2-14,16-17H,15H2,1H3,(H,26,28)