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

Systemtic Name: N-[3-(phenethylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(phenethylamino)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C38H45N3O2 MolecularWeight: 575.7828

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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)NCCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

InChI

InChI=1S/C38H45N3O2/c42-36(39-16-13-27-7-3-1-4-8-27)34-23-33(40-37(43)38-24-30-20-31(25-38)22-32(21-30)26-38)11-12-35(34)41-17-14-29(15-18-41)19-28-9-5-2-6-10-28/h1-12,23,29-32H,13-22,24-26H2,(H,39,42)(H,40,43)