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

Systemtic Name: N-[3-[(phenylmethyl)carbamoyl]-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-[(phenylmethyl)amino]methyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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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=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O2/c33-27(30-19-20-6-2-1-3-7-20)25-15-24(8-9-26(25)32-10-4-5-11-32)31-28(34)29-16-21-12-22(17-29)14-23(13-21)18-29/h1-3,6-9,15,21-23H,4-5,10-14,16-19H2,(H,30,33)(H,31,34)