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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCCCC6

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCCCC6

InChI

InChI=1S/C31H39N3O2/c1-21(25-8-4-2-5-9-25)32-29(35)27-17-26(10-11-28(27)34-12-6-3-7-13-34)33-30(36)31-18-22-14-23(19-31)16-24(15-22)20-31/h2,4-5,8-11,17,21-24H,3,6-7,12-16,18-20H2,1H3,(H,32,35)(H,33,36)