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

Systemtic Name: N-[3-(pyridin-3-ylmethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-pyridylmethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(pyridin-3-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(3-pyridylmethylcarbamoyl)-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C28H34N4O2 MolecularWeight: 458.59516

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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)NCC6=CN=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CN=CC=C6

InChI

InChI=1S/C28H34N4O2/c33-26(30-18-19-4-3-7-29-17-19)24-13-23(5-6-25(24)32-8-1-2-9-32)31-27(34)28-14-20-10-21(15-28)12-22(11-20)16-28/h3-7,13,17,20-22H,1-2,8-12,14-16,18H2,(H,30,33)(H,31,34)