N-[3-(2-methoxyethylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-methoxyethylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(2-methoxyethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(2-methoxyethylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(2-methoxyethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H43N3O3 MolecularWeight: 529.71282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC(CC5)CC6=CC=CC=C6

Isomeric SMILES

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C33H43N3O3/c1-39-14-11-34-31(37)29-19-28(35-32(38)33-20-25-16-26(21-33)18-27(17-25)22-33)7-8-30(29)36-12-9-24(10-13-36)15-23-5-3-2-4-6-23/h2-8,19,24-27H,9-18,20-22H2,1H3,(H,34,37)(H,35,38)