4-(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-5-(4-chlorophenyl)-N-(4-cyanophenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 4-(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-5-(4-chlorophenyl)-N-(4-cyanophenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 4-(2-amino-1,1-dimethyl-2-oxo-ethyl)-5-(4-chlorophenyl)-N-(4-cyanophenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 4-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-chlorophenyl)-N-(4-cyanophenyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 4-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-chlorophenyl)-N-(4-cyanophenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 4-(2-amino-2-keto-1,1-dimethyl-ethyl)-3-(4-chlorophenyl)-N-(4-cyanophenyl)-2-pyrazoline-1-carboxamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N)C(=O)N

Isomeric SMILES

CC(C)(C1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N)C(=O)N

InChI

InChI=1S/C21H20ClN5O2/c1-21(2,19(24)28)17-12-27(26-18(17)14-5-7-15(22)8-6-14)20(29)25-16-9-3-13(11-23)4-10-16/h3-10,17H,12H2,1-2H3,(H2,24,28)(H,25,29)