[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H24N4O4/c1-14(18(25)23-20(27)22-16-6-3-2-4-7-16)28-19(26)15-8-10-17(11-9-15)24-13-5-12-21-24/h5,8-14,16H,2-4,6-7H2,1H3,(H2,22,23,25,27)