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

Systemtic Name: N-(2-azanylcyclohexyl)-1-cyclopropylcarbonyl-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C26H29FN4O3 MolecularWeight: 464.531863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5CC5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5CC5

InChI

InChI=1S/C26H29FN4O3/c27-18-10-7-15(8-11-18)23-14-24(32)29-21-13-17(25(33)30-20-4-2-1-3-19(20)28)9-12-22(21)31(23)26(34)16-5-6-16/h7-13,16,19-20,23H,1-6,14,28H2,(H,29,32)(H,30,33)