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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-4-cyano-N-[[3-(2-phenylethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-cyano-N-[[3-[(2-phenylacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-[(2-phenylacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-cyano-N-[3-[(2-phenylacetyl)amino]benzyl]benzamide Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2/c1-28(2,19-30)20-32(27(34)24-13-11-22(17-29)12-14-24)18-23-9-6-10-25(15-23)31-26(33)16-21-7-4-3-5-8-21/h3-15H,16,18-20,30H2,1-2H3,(H,31,33)