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

Systemtic Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-[(4-fluorobenzyl)carbamoyl]-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C29H34FN3O2 MolecularWeight: 475.597563

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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=C(C=C6)F

Isomeric SMILES

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

InChI

InChI=1S/C29H34FN3O2/c30-23-5-3-19(4-6-23)18-31-27(34)25-14-24(7-8-26(25)33-9-1-2-10-33)32-28(35)29-15-20-11-21(16-29)13-22(12-20)17-29/h3-8,14,20-22H,1-2,9-13,15-18H2,(H,31,34)(H,32,35)