N-[[4-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-[2-(dimethylamino)-2-keto-ethyl]piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C27H38N4O3 MolecularWeight: 466.61562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C)C(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4O3/c1-29(2)24(32)18-30-7-9-31(10-8-30)25(33)23-5-3-19(4-6-23)17-28-26(34)27-14-20-11-21(15-27)13-22(12-20)16-27/h3-6,20-22H,7-18H2,1-2H3,(H,28,34)