(E,4Z)-2-isocyano-4-[(E)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-3-phenyl-pent-2-enedinitrile

Systemtic Name: (E,4Z)-2-isocyano-4-[(E)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-3-phenyl-pent-2-enedinitrile Openeye Name: (E,4Z)-2-isocyano-4-[(E)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-3-phenyl-pent-2-enedinitrile CAS Name: (E,4Z)-2-isocyano-4-[(E)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-3-phenyl-2-pentenedinitrile IUPAC Name: (E,4Z)-2-isocyano-4-[(E)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-3-phenylpent-2-enedinitrile Traditional Name: (E,4Z)-2-isocyano-4-[(E)-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)prop-2-enylidene]-3-phenyl-pent-2-enedinitrile Formula: C25H17N5O MolecularWeight: 403.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=CC=C(C#N)C(=C(C#N)[N+]#[C-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/C=C(\C#N)/C(=C(\C#N)/[N+]#[C-])/C3=CC=CC=C3

InChI

InChI=1S/C25H17N5O/c1-18-22(25(31)30(29-18)21-13-7-4-8-14-21)15-9-12-20(16-26)24(23(17-27)28-2)19-10-5-3-6-11-19/h3-15,29H,1H3/b15-9+,20-12+,24-23+