5-azanyl-3-(4-methylphenyl)carbonyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-(4-methylphenyl)carbonyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(4-methylbenzoyl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(4-methylphenyl)-oxomethyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(4-methylbenzoyl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-phenyl-3-p-toluoyl-pyrazole-4-carbonitrile Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O/c1-12-7-9-13(10-8-12)17(23)16-15(11-19)18(20)22(21-16)14-5-3-2-4-6-14/h2-10H,20H2,1H3