2-(3-tert-butyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-2-[(3-methyl-4-propan-2-yl-phenyl)amino]ethanenitrile

Systemtic Name: 2-(3-tert-butyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-2-[(3-methyl-4-propan-2-yl-phenyl)amino]ethanenitrile Openeye Name: 2-(3-tert-butyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-2-(4-isopropyl-3-methyl-anilino)acetonitrile CAS Name: 2-(3-tert-butyl-5-oxo-1-phenyl-4-pyrazolylidene)-2-(3-methyl-4-propan-2-ylanilino)acetonitrile IUPAC Name: 2-(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)-2-(3-methyl-4-propan-2-ylanilino)acetonitrile Traditional Name: 2-(3-tert-butyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-2-(4-isopropyl-3-methyl-anilino)acetonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=C2C(=NN(C2=O)C3=CC=CC=C3)C(C)(C)C)C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=C2C(=NN(C2=O)C3=CC=CC=C3)C(C)(C)C)C#N)C(C)C

InChI

InChI=1S/C25H28N4O/c1-16(2)20-13-12-18(14-17(20)3)27-21(15-26)22-23(25(4,5)6)28-29(24(22)30)19-10-8-7-9-11-19/h7-14,16,27H,1-6H3