[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C20H26N4O3/c1-15(19(25)23-18-6-4-2-3-5-7-18)27-20(26)17-10-8-16(9-11-17)12-24-14-21-13-22-24/h8-11,13-15,18H,2-7,12H2,1H3,(H,23,25)