7-bromanyl-4-[4-(phenylcarbonyl)phenyl]carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-[4-(phenylcarbonyl)phenyl]carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-benzoylbenzoyl)-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-benzoylphenyl)-oxomethyl]-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-benzoylbenzoyl)-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-benzoylbenzoyl)-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H19BrN2O3S MolecularWeight: 531.42036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H19BrN2O3S/c28-20-12-13-22-21(15-20)25(23-7-4-14-34-23)30(16-24(31)29-22)27(33)19-10-8-18(9-11-19)26(32)17-5-2-1-3-6-17/h1-15,25H,16H2,(H,29,31)