4-(aminomethyl)-N-[1-[4-(3-cyanophenyl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[4-(3-cyanophenyl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[4-(3-cyanophenyl)-2-pyridyl]-2-phenyl-ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-[4-(3-cyanophenyl)-2-pyridinyl]-2-phenylethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-[4-(3-cyanophenyl)pyridin-2-yl]-2-phenylethyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[4-(3-cyanophenyl)-2-pyridyl]-2-phenyl-ethyl]cyclohexanecarboxamide Formula: C28H30N4O MolecularWeight: 438.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H30N4O/c29-18-21-9-11-23(12-10-21)28(33)32-27(16-20-5-2-1-3-6-20)26-17-25(13-14-31-26)24-8-4-7-22(15-24)19-30/h1-8,13-15,17,21,23,27H,9-12,16,18,29H2,(H,32,33)