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

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-ethyl-benzamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-ethyl-benzamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-4-ethylbenzamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-4-ethylbenzamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-ethyl-benzamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C22H21N5O/c1-2-17-9-11-19(12-10-17)22(28)25-24-15-20-16-27(14-6-13-23)26-21(20)18-7-4-3-5-8-18/h3-5,7-12,15-16H,2,6,14H2,1H3,(H,25,28)/b24-15-