N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(2-methoxyethanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(2-methoxyethanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(2-methoxyacetyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(2-methoxy-1-oxoethyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(2-methoxyacetyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-keto-1-(2-methoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C25H29FN4O4 MolecularWeight: 468.520563

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=C(C=C4)F

Isomeric SMILES

COCC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O4/c1-34-14-24(32)30-21-11-8-16(25(33)29-19-5-3-2-4-18(19)27)12-20(21)28-23(31)13-22(30)15-6-9-17(26)10-7-15/h6-12,18-19,22H,2-5,13-14,27H2,1H3,(H,28,31)(H,29,33)