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

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-methyl-1-piperidyl)-3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(4-methyl-1-piperidinyl)-3-[oxo-(1-phenylethylamino)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-methylpiperidino)-3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C32H41N3O2 MolecularWeight: 499.68684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC(C)C6=CC=CC=C6

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC(C)C6=CC=CC=C6

InChI

InChI=1S/C32H41N3O2/c1-21-10-12-35(13-11-21)29-9-8-27(17-28(29)30(36)33-22(2)26-6-4-3-5-7-26)34-31(37)32-18-23-14-24(19-32)16-25(15-23)20-32/h3-9,17,21-25H,10-16,18-20H2,1-2H3,(H,33,36)(H,34,37)