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

Systemtic Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(1-phenylethylamino)methyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C30H37N3O2 MolecularWeight: 471.63368

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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)N6CCCC6

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCCC6

InChI

InChI=1S/C30H37N3O2/c1-20(24-7-3-2-4-8-24)31-28(34)26-16-25(9-10-27(26)33-11-5-6-12-33)32-29(35)30-17-21-13-22(18-30)15-23(14-21)19-30/h2-4,7-10,16,20-23H,5-6,11-15,17-19H2,1H3,(H,31,34)(H,32,35)