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

Systemtic Name: 5-azanyl-1-[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl]-3-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2-(2,5-dichlorophenyl)-2-oxo-ethyl]-3-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-3-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-3-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-(2,5-dichlorophenyl)-2-keto-ethyl]-3-phenyl-pyrazole-4-carbonitrile Formula: C18H12Cl2N4O MolecularWeight: 371.22008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2N4O/c19-12-6-7-15(20)13(8-12)16(25)10-24-18(22)14(9-21)17(23-24)11-4-2-1-3-5-11/h1-8H,10,22H2