N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-(3-methylphenoxy)acetamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-(3-methylphenoxy)acetamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C22H21N5O2/c1-17-7-5-10-20(13-17)29-16-21(28)25-24-14-19-15-27(12-6-11-23)26-22(19)18-8-3-2-4-9-18/h2-5,7-10,13-15H,6,12,16H2,1H3,(H,25,28)/b24-14-