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

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[3-[(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(=C2)CN(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(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

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