N-[4-(4-methylpiperidin-1-yl)-3-[(phenylmethyl)carbamoyl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)-3-[(phenylmethyl)carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4-(4-methyl-1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(4-methyl-1-piperidinyl)-3-[oxo-[(phenylmethyl)amino]methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4-(4-methylpiperidino)phenyl]adamantane-1-carboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CC=CC=C6

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C31H39N3O2/c1-21-9-11-34(12-10-21)28-8-7-26(16-27(28)29(35)32-20-22-5-3-2-4-6-22)33-30(36)31-17-23-13-24(18-31)15-25(14-23)19-31/h2-8,16,21,23-25H,9-15,17-20H2,1H3,(H,32,35)(H,33,36)