(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(dipropylamino)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-(dipropylamino)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-(dipropylamino)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(dipropylamino)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(dipropylamino)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCN(CCC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C27H31N5O2/c1-5-16-31(17-6-2)23-14-12-21(13-15-23)18-22(19-28)26(33)29-25-20(3)30(4)32(27(25)34)24-10-8-7-9-11-24/h7-15,18H,5-6,16-17H2,1-4H3,(H,29,33)/b22-18+