N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[4-[(3-methyl-1-piperidyl)methyl]phenyl]methylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[4-[(3-methyl-1-piperidinyl)methyl]phenyl]methylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[[4-[(3-methylpiperidino)methyl]benzyl]amino]ethyl]adamantane-1-carboxamide Formula: C27H39N3O2 MolecularWeight: 437.61746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c1-19-3-2-8-30(17-19)18-21-6-4-20(5-7-21)15-28-25(31)16-29-26(32)27-12-22-9-23(13-27)11-24(10-22)14-27/h4-7,19,22-24H,2-3,8-18H2,1H3,(H,28,31)(H,29,32)