N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(3-pyridylmethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(3-pyridylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C36H42N4O2 MolecularWeight: 562.74428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCC7=CN=CC=C7

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCC7=CN=CC=C7

InChI

InChI=1S/C36H42N4O2/c41-34(38-24-27-7-4-12-37-23-27)32-19-31(39-35(42)36-20-28-16-29(21-36)18-30(17-28)22-36)8-9-33(32)40-13-10-26(11-14-40)15-25-5-2-1-3-6-25/h1-9,12,19,23,26,28-30H,10-11,13-18,20-22,24H2,(H,38,41)(H,39,42)