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

Systemtic Name: N-[4-(dimethylamino)-3-[(4-fluorophenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(dimethylamino)-3-[(4-fluorophenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-(dimethylamino)-3-[[(4-fluorophenyl)methylamino]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(dimethylamino)-3-[(4-fluorophenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(dimethylamino)-3-[(4-fluorobenzyl)carbamoyl]phenyl]adamantane-1-carboxamide Formula: C27H32FN3O2 MolecularWeight: 449.560283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H32FN3O2/c1-31(2)24-8-7-22(12-23(24)25(32)29-16-17-3-5-21(28)6-4-17)30-26(33)27-13-18-9-19(14-27)11-20(10-18)15-27/h3-8,12,18-20H,9-11,13-16H2,1-2H3,(H,29,32)(H,30,33)