N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[4-pyrrolidin-1-yl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(2-oxolanylmethylamino)methyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[4-pyrrolidino-3-(tetrahydrofurfurylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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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)NCC6CCCO6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCC6CCCO6

InChI

InChI=1S/C27H37N3O3/c31-25(28-17-22-4-3-9-33-22)23-13-21(5-6-24(23)30-7-1-2-8-30)29-26(32)27-14-18-10-19(15-27)12-20(11-18)16-27/h5-6,13,18-20,22H,1-4,7-12,14-17H2,(H,28,31)(H,29,32)