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

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

C1CC1C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCC(CC4)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCC(CC4)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H29FN4O3/c27-18-6-3-15(4-7-18)23-14-24(32)30-21-13-17(25(33)29-20-10-8-19(28)9-11-20)5-12-22(21)31(23)26(34)16-1-2-16/h3-7,12-13,16,19-20,23H,1-2,8-11,14,28H2,(H,29,33)(H,30,32)