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

Systemtic Name: N-[3-(2-morpholin-4-ylethylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(2-morpholinoethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(2-morpholinoethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C36H48N4O3 MolecularWeight: 584.79132

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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)NCCN7CCOCC7

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

InChI

InChI=1S/C36H48N4O3/c41-34(37-10-13-39-14-16-43-17-15-39)32-22-31(38-35(42)36-23-28-19-29(24-36)21-30(20-28)25-36)6-7-33(32)40-11-8-27(9-12-40)18-26-4-2-1-3-5-26/h1-7,22,27-30H,8-21,23-25H2,(H,37,41)(H,38,42)