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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-cyclopropylcarbonyl-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-[cyclopropyl(oxo)methyl]-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C4CC4

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C4CC4

InChI

InChI=1S/C25H29FN4O3/c1-25(2,13-27)14-28-23(32)17-7-10-20-19(11-17)29-22(31)12-21(15-5-8-18(26)9-6-15)30(20)24(33)16-3-4-16/h5-11,16,21H,3-4,12-14,27H2,1-2H3,(H,28,32)(H,29,31)