4-(1-adamantylcarbonyl)-7-chloranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(1-adamantylcarbonyl)-7-chloranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(adamantane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1-adamantyl(oxo)methyl]-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(adamantane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(adamantane-1-carbonyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H26ClFN2O2 MolecularWeight: 452.948243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(=O)NC5=C(C4C6=CC=C(C=C6)F)C=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(=O)NC5=C(C4C6=CC=C(C=C6)F)C=C(C=C5)Cl

InChI

InChI=1S/C26H26ClFN2O2/c27-19-3-6-22-21(10-19)24(18-1-4-20(28)5-2-18)30(14-23(31)29-22)25(32)26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17,24H,7-9,11-14H2,(H,29,31)