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

Systemtic Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-(4-methyl-1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-(4-methyl-1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[(4-fluorobenzyl)carbamoyl]-4-(4-methylpiperidino)phenyl]adamantane-1-carboxamide Formula: C31H38FN3O2 MolecularWeight: 503.650723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CC=C(C=C6)F

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CC=C(C=C6)F

InChI

InChI=1S/C31H38FN3O2/c1-20-8-10-35(11-9-20)28-7-6-26(15-27(28)29(36)33-19-21-2-4-25(32)5-3-21)34-30(37)31-16-22-12-23(17-31)14-24(13-22)18-31/h2-7,15,20,22-24H,8-14,16-19H2,1H3,(H,33,36)(H,34,37)