N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-piperonylamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C\C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C21H17N5O3/c22-9-4-10-26-13-17(20(25-26)15-5-2-1-3-6-15)12-23-24-21(27)16-7-8-18-19(11-16)29-14-28-18/h1-3,5-8,11-13H,4,10,14H2,(H,24,27)/b23-12-