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

Systemtic Name: 4-(1-adamantylcarbonyl)-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(adamantane-1-carbonyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1-adamantyl(oxo)methyl]-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(adamantane-1-carbonyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(adamantane-1-carbonyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H27ClN2O2 MolecularWeight: 434.95778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O2/c27-20-6-7-22-21(11-20)24(19-4-2-1-3-5-19)29(15-23(30)28-22)25(31)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18,24H,8-10,12-15H2,(H,28,30)