4-azanyl-5-(4-methylphenyl)carbonyl-2-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 4-azanyl-5-(4-methylphenyl)carbonyl-2-phenyl-pyrazole-3-carbonitrile Openeye Name: 4-amino-5-(4-methylbenzoyl)-2-phenyl-pyrazole-3-carbonitrile CAS Name: 4-amino-5-[(4-methylphenyl)-oxomethyl]-2-phenyl-3-pyrazolecarbonitrile IUPAC Name: 4-amino-5-(4-methylbenzoyl)-2-phenylpyrazole-3-carbonitrile Traditional Name: 4-amino-2-phenyl-5-p-toluoyl-pyrazole-3-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(=C2N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=NN(C(=C2N)C#N)C3=CC=CC=C3

InChI

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