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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C22H21N5O2/c1-2-29-20-11-9-18(10-12-20)22(28)25-24-15-19-16-27(14-6-13-23)26-21(19)17-7-4-3-5-8-17/h3-5,7-12,15-16H,2,6,14H2,1H3,(H,25,28)/b24-15-