11-(2-bromanylpropanoyl)-6-methyl-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 11-(2-bromanylpropanoyl)-6-methyl-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 11-(2-bromopropanoyl)-6-methyl-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-(2-bromo-1-oxopropyl)-6-methyl-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 11-(2-bromopropanoyl)-6-methyl-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 11-(2-bromopropanoyl)-6-methyl-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C21H17BrN4O2/c1-13(22)20(27)26-17-11-7-6-10-16(17)25(2)21(28)15-12-23-18(24-19(15)26)14-8-4-3-5-9-14/h3-13H,1-2H3