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

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3,4-dimethoxy-benzamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3,4-dimethoxy-benzamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-3,4-dimethoxybenzamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3,4-dimethoxybenzamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3,4-dimethoxy-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N)OC

InChI

InChI=1S/C22H21N5O3/c1-29-19-10-9-17(13-20(19)30-2)22(28)25-24-14-18-15-27(12-6-11-23)26-21(18)16-7-4-3-5-8-16/h3-5,7-10,13-15H,6,12H2,1-2H3,(H,25,28)/b24-14-