2-azanyl-4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)carbonyl]quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)carbonyl]quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbonyl)quinoline-3-carbonitrile CAS Name: 2-amino-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-oxomethyl]-3-quinolinecarbonitrile IUPAC Name: 2-amino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbonyl)quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-keto-3-methyl-1-phenyl-2-pyrazoline-4-carbonyl)quinoline-3-carbonitrile Formula: C21H15N5O2 MolecularWeight: 369.3761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)C2=C(C(=NC3=CC=CC=C32)N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1C(=O)C2=C(C(=NC3=CC=CC=C32)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H15N5O2/c1-12-17(21(28)26(25-12)13-7-3-2-4-8-13)19(27)18-14-9-5-6-10-16(14)24-20(23)15(18)11-22/h2-10,17H,1H3,(H2,23,24)