1-[1-(4-aminophenyl)-8-bromanyl-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one

Systemtic Name: 1-[1-(4-aminophenyl)-8-bromanyl-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Openeye Name: 1-[1-(4-aminophenyl)-8-bromo-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one CAS Name: 1-[1-(4-aminophenyl)-8-bromo-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]-1-propanone IUPAC Name: 1-[1-(4-aminophenyl)-8-bromo-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Traditional Name: 1-[1-(4-aminophenyl)-8-bromo-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Formula: C19H20BrN3O MolecularWeight: 386.2856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC2=C(C=C(C=C2)Br)C(=N1)C3=CC=C(C=C3)N)C

Isomeric SMILES

CCC(=O)N1C(CC2=C(C=C(C=C2)Br)C(=N1)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C19H20BrN3O/c1-3-18(24)23-12(2)10-14-4-7-15(20)11-17(14)19(22-23)13-5-8-16(21)9-6-13/h4-9,11-12H,3,10,21H2,1-2H3