4-[(2-bromophenyl)methyl]-3-methyl-2-[methyl(phenyl)amino]-5-oxidanylidene-hexanenitrile

Systemtic Name: 4-[(2-bromophenyl)methyl]-3-methyl-2-[methyl(phenyl)amino]-5-oxidanylidene-hexanenitrile Openeye Name: 4-[(2-bromophenyl)methyl]-3-methyl-2-(N-methylanilino)-5-oxo-hexanenitrile CAS Name: 4-[(2-bromophenyl)methyl]-3-methyl-2-(N-methylanilino)-5-oxohexanenitrile IUPAC Name: 4-[(2-bromophenyl)methyl]-3-methyl-2-(N-methylanilino)-5-oxohexanenitrile Traditional Name: 4-(2-bromobenzyl)-5-keto-3-methyl-2-(N-methylanilino)hexanenitrile Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1Br)C(=O)C)C(C#N)N(C)C2=CC=CC=C2

Isomeric SMILES

CC(C(CC1=CC=CC=C1Br)C(=O)C)C(C#N)N(C)C2=CC=CC=C2

InChI

InChI=1S/C21H23BrN2O/c1-15(21(14-23)24(3)18-10-5-4-6-11-18)19(16(2)25)13-17-9-7-8-12-20(17)22/h4-12,15,19,21H,13H2,1-3H3