N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]-4-cyano-benzamide Openeye Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-yl-phenyl]-4-cyano-benzamide CAS Name: N-[5-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(1-pyrrolidinyl)phenyl]-4-cyanobenzamide IUPAC Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidin-1-ylphenyl]-4-cyanobenzamide Traditional Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-pyrrolidino-phenyl]-4-cyano-benzamide Formula: C32H35N5O2 MolecularWeight: 521.6526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4CC4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H35N5O2/c33-15-4-18-37(32(39)26-11-12-26)22-24-5-3-6-27(19-24)28-13-14-30(36-16-1-2-17-36)29(20-28)35-31(38)25-9-7-23(21-34)8-10-25/h3,5-10,13-14,19-20,26H,1-2,4,11-12,15-18,22,33H2,(H,35,38)