ethyl 5-methyl-1-[4-(prop-2-ynylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(prop-2-ynylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(prop-2-ynylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(prop-2-ynylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(prop-2-ynylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(propargylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC#C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC#C)C

InChI

InChI=1S/C17H17N3O3/c1-4-10-18-16(21)13-6-8-14(9-7-13)20-12(3)15(11-19-20)17(22)23-5-2/h1,6-9,11H,5,10H2,2-3H3,(H,18,21)