N-(3-azanylpropyl)-N-[[2-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-[(4-tert-butylbenzoyl)amino]benzyl]-4-cyano-benzamide Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H32N4O2/c1-29(2,3)25-15-13-22(14-16-25)27(34)32-26-8-5-4-7-24(26)20-33(18-6-17-30)28(35)23-11-9-21(19-31)10-12-23/h4-5,7-16H,6,17-18,20,30H2,1-3H3,(H,32,34)