N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC1C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O2/c23-11-2-12-26(22(28)19-9-10-19)15-17-3-1-4-20(13-17)25-21(27)18-7-5-16(14-24)6-8-18/h1,3-8,13,19H,2,9-12,15,23H2,(H,25,27)