5-azanyl-1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-(4-chlorophenyl)-2-keto-ethyl]-3-phenyl-pyrazole-4-carbonitrile Formula: C18H13ClN4O MolecularWeight: 336.77502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2C#N)N)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2C#N)N)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN4O/c19-14-8-6-12(7-9-14)16(24)11-23-18(21)15(10-20)17(22-23)13-4-2-1-3-5-13/h1-9H,11,21H2