2-[3-(dimethylamino)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]-2-[4-(ethylamino)phenyl]ethanenitrile

Systemtic Name: 2-[3-(dimethylamino)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]-2-[4-(ethylamino)phenyl]ethanenitrile Openeye Name: 2-[3-(dimethylamino)-5-oxo-1-phenyl-pyrazol-4-ylidene]-2-[4-(ethylamino)phenyl]acetonitrile CAS Name: 2-[3-(dimethylamino)-5-oxo-1-phenyl-4-pyrazolylidene]-2-[4-(ethylamino)phenyl]acetonitrile IUPAC Name: 2-[3-(dimethylamino)-5-oxo-1-phenylpyrazol-4-ylidene]-2-[4-(ethylamino)phenyl]acetonitrile Traditional Name: 2-[3-(dimethylamino)-5-keto-1-phenyl-2-pyrazolin-4-ylidene]-2-[4-(ethylamino)phenyl]acetonitrile Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)C(=C2C(=NN(C2=O)C3=CC=CC=C3)N(C)C)C#N

Isomeric SMILES

CCNC1=CC=C(C=C1)C(=C2C(=NN(C2=O)C3=CC=CC=C3)N(C)C)C#N

InChI

InChI=1S/C21H21N5O/c1-4-23-16-12-10-15(11-13-16)18(14-22)19-20(25(2)3)24-26(21(19)27)17-8-6-5-7-9-17/h5-13,23H,4H2,1-3H3