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

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-7-bromanyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-piperonyloyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C21H15BrN2O4S/c22-13-4-5-15-14(9-13)20(18-2-1-7-29-18)24(10-19(25)23-15)21(26)12-3-6-16-17(8-12)28-11-27-16/h1-9,20H,10-11H2,(H,23,25)