2-[[4-(4-azanylphenoxy)phenyl]amino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile

Systemtic Name: 2-[[4-(4-azanylphenoxy)phenyl]amino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile Openeye Name: 2-[4-(4-aminophenoxy)anilino]-4,4-dimethyl-6-oxo-cyclohexene-1-carbonitrile CAS Name: 2-[4-(4-aminophenoxy)anilino]-4,4-dimethyl-6-oxo-1-cyclohexenecarbonitrile IUPAC Name: 2-[4-(4-aminophenoxy)anilino]-4,4-dimethyl-6-oxocyclohexene-1-carbonitrile Traditional Name: 2-[4-(4-aminophenoxy)anilino]-6-keto-4,4-dimethyl-cyclohexene-1-carbonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C#N)NC2=CC=C(C=C2)OC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C#N)NC2=CC=C(C=C2)OC3=CC=C(C=C3)N)C

InChI

InChI=1S/C21H21N3O2/c1-21(2)11-19(18(13-22)20(25)12-21)24-15-5-9-17(10-6-15)26-16-7-3-14(23)4-8-16/h3-10,24H,11-12,23H2,1-2H3