1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4,6-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4,6-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4,6-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-keto-4,6-dimethyl-nicotinonitrile Formula: C21H18N6O MolecularWeight: 370.40722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1N=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N)C

InChI

InChI=1S/C21H18N6O/c1-15-11-16(2)27(21(28)19(15)12-23)24-13-18-14-26(10-6-9-22)25-20(18)17-7-4-3-5-8-17/h3-5,7-8,11,13-14H,6,10H2,1-2H3/b24-13-