4-(1-adamantylcarbonyl)-7-bromanyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(1-adamantylcarbonyl)-7-bromanyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(adamantane-1-carbonyl)-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1-adamantyl(oxo)methyl]-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(adamantane-1-carbonyl)-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(adamantane-1-carbonyl)-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C24H25BrN2O2S MolecularWeight: 485.4365

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(=O)NC5=C(C4C6=CC=CS6)C=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(=O)NC5=C(C4C6=CC=CS6)C=C(C=C5)Br

InChI

InChI=1S/C24H25BrN2O2S/c25-17-3-4-19-18(9-17)22(20-2-1-5-30-20)27(13-21(28)26-19)23(29)24-10-14-6-15(11-24)8-16(7-14)12-24/h1-5,9,14-16,22H,6-8,10-13H2,(H,26,28)