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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[2-chloranyl-5-(2-phenylethanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[2-chloro-5-[(2-phenylacetyl)amino]benzyl]-4-cyano-benzamide Formula: C28H29ClN4O2 MolecularWeight: 489.00846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H29ClN4O2/c1-28(2,18-31)19-33(27(35)22-10-8-21(16-30)9-11-22)17-23-15-24(12-13-25(23)29)32-26(34)14-20-6-4-3-5-7-20/h3-13,15H,14,17-19,31H2,1-2H3,(H,32,34)