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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C30H37N3O2/c34-28(31-11-10-21-6-2-1-3-7-21)26-17-25(8-9-27(26)33-12-4-5-13-33)32-29(35)30-18-22-14-23(19-30)16-24(15-22)20-30/h1-3,6-9,17,22-24H,4-5,10-16,18-20H2,(H,31,34)(H,32,35)