2-(1-bromanylpropan-2-ylamino)-5-cyano-N-[(3,4-dimethoxyphenyl)methyl]benzamide

Systemtic Name: 2-(1-bromanylpropan-2-ylamino)-5-cyano-N-[(3,4-dimethoxyphenyl)methyl]benzamide Openeye Name: 2-[(2-bromo-1-methyl-ethyl)amino]-5-cyano-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 2-(1-bromopropan-2-ylamino)-5-cyano-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 2-(1-bromopropan-2-ylamino)-5-cyano-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 2-[(2-bromo-1-methyl-ethyl)amino]-5-cyano-N-veratryl-benzamide Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CBr)NC1=C(C=C(C=C1)C#N)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(CBr)NC1=C(C=C(C=C1)C#N)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H22BrN3O3/c1-13(10-21)24-17-6-4-14(11-22)8-16(17)20(25)23-12-15-5-7-18(26-2)19(9-15)27-3/h4-9,13,24H,10,12H2,1-3H3,(H,23,25)