2-azanyl-3-bromanyl-5-[2-(2-methylbutan-2-ylamino)ethanoyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-[2-(2-methylbutan-2-ylamino)ethanoyl]benzenecarbonitrile Openeye Name: 2-amino-3-bromo-5-[2-(1,1-dimethylpropylamino)acetyl]benzonitrile CAS Name: 2-amino-3-bromo-5-[2-(2-methylbutan-2-ylamino)-1-oxoethyl]benzonitrile IUPAC Name: 2-amino-3-bromo-5-[2-(2-methylbutan-2-ylamino)acetyl]benzonitrile Traditional Name: 2-amino-5-[2-(tert-amylamino)acetyl]-3-bromo-benzonitrile Formula: C14H18BrN3O MolecularWeight: 324.21622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)C1=CC(=C(C(=C1)C#N)N)Br

Isomeric SMILES

CCC(C)(C)NCC(=O)C1=CC(=C(C(=C1)C#N)N)Br

InChI

InChI=1S/C14H18BrN3O/c1-4-14(2,3)18-8-12(19)9-5-10(7-16)13(17)11(15)6-9/h5-6,18H,4,8,17H2,1-3H3