N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide

Systemtic Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: N-cyclohexyl-2-(4-fluorobenzyl)-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C24H27FN2O2 MolecularWeight: 394.481783

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F)C(=O)NC4CCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F)C(=O)NC4CCCCC4

InChI

InChI=1S/C24H27FN2O2/c1-24(23(29)26-20-8-3-2-4-9-20)15-18-7-5-6-10-21(18)22(28)27(24)16-17-11-13-19(25)14-12-17/h5-7,10-14,20H,2-4,8-9,15-16H2,1H3,(H,26,29)