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

Systemtic Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-cyclopropylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[4-[[[3-(aminomethyl)benzyl]-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)CC4=CC=CC(=C4)CN

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)CC4=CC=CC(=C4)CN

InChI

InChI=1S/C27H26N4O2/c28-15-19-4-8-23(9-5-19)26(32)30-25-12-6-20(7-13-25)17-31(27(33)24-10-11-24)18-22-3-1-2-21(14-22)16-29/h1-9,12-14,24H,10-11,16-18,29H2,(H,30,32)