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

Systemtic Name: N-[3-(phenethylcarbamoyl)-4-piperidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(phenethylcarbamoyl)-4-(1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(phenethylamino)methyl]-4-(1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(phenethylcarbamoyl)-4-piperidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(phenethylcarbamoyl)-4-piperidino-phenyl]adamantane-1-carboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C31H39N3O2/c35-29(32-12-11-22-7-3-1-4-8-22)27-18-26(9-10-28(27)34-13-5-2-6-14-34)33-30(36)31-19-23-15-24(20-31)17-25(16-23)21-31/h1,3-4,7-10,18,23-25H,2,5-6,11-17,19-21H2,(H,32,35)(H,33,36)