3-[2-cyanoethyl-[4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]anilino]propionitrile Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(CCC#N)CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(CCC#N)CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H21N5O/c1-18-22(23(29)28(26-18)21-7-3-2-4-8-21)17-19-9-11-20(12-10-19)27(15-5-13-24)16-6-14-25/h2-4,7-12,17H,5-6,15-16H2,1H3/b22-17-