(3-methylquinoxalin-2-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H18N4O2 MolecularWeight: 358.39322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H18N4O2/c1-15-20(24-19-6-3-2-5-18(19)23-15)14-27-21(26)17-9-7-16(8-10-17)13-25-12-4-11-22-25/h2-12H,13-14H2,1H3