7-bromanyl-4-(2-ethylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-(2-ethylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(2-ethylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-(2-ethyl-1-oxobutyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(2-ethylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(2-ethylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br

Isomeric SMILES

CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br

InChI

InChI=1S/C21H23BrN2O2/c1-3-14(4-2)21(26)24-13-19(25)23-18-11-10-16(22)12-17(18)20(24)15-8-6-5-7-9-15/h5-12,14,20H,3-4,13H2,1-2H3,(H,23,25)