N-[(4-bromophenyl)amino]-N'-(4-ethynylphenyl)-3,3-dimethyl-2-oxidanylidene-butanimidamide

Systemtic Name: N-[(4-bromophenyl)amino]-N'-(4-ethynylphenyl)-3,3-dimethyl-2-oxidanylidene-butanimidamide Openeye Name: N-(4-bromoanilino)-N'-(4-ethynylphenyl)-3,3-dimethyl-2-oxo-butanamidine CAS Name: N-(4-bromoanilino)-N'-(4-ethynylphenyl)-3,3-dimethyl-2-oxobutanimidamide IUPAC Name: N-(4-bromoanilino)-N'-(4-ethynylphenyl)-3,3-dimethyl-2-oxobutanimidamide Traditional Name: N-(4-bromoanilino)-N'-(4-ethynylphenyl)-2-keto-3,3-dimethyl-butyramidine Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=NC1=CC=C(C=C1)C#C)NNC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)C(=NC1=CC=C(C=C1)C#C)NNC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrN3O/c1-5-14-6-10-16(11-7-14)22-19(18(25)20(2,3)4)24-23-17-12-8-15(21)9-13-17/h1,6-13,23H,2-4H3,(H,22,24)