N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(3-azanyl-2,2-dimethyl-propyl)-4-cyano-benzamide

Systemtic Name: N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(3-azanyl-2,2-dimethyl-propyl)-4-cyano-benzamide Openeye Name: N-[(5-acetamido-2-chloro-phenyl)methyl]-N-(3-amino-2,2-dimethyl-propyl)-4-cyano-benzamide CAS Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-amino-2,2-dimethylpropyl)-4-cyanobenzamide IUPAC Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-amino-2,2-dimethylpropyl)-4-cyanobenzamide Traditional Name: N-(5-acetamido-2-chloro-benzyl)-N-(3-amino-2,2-dimethyl-propyl)-4-cyano-benzamide Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(CC(C)(C)CN)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(CC(C)(C)CN)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H25ClN4O2/c1-15(28)26-19-8-9-20(23)18(10-19)12-27(14-22(2,3)13-25)21(29)17-6-4-16(11-24)5-7-17/h4-10H,12-14,25H2,1-3H3,(H,26,28)