N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-methoxy-benzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3-bromo-4-methoxybenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-methoxy-benzoyl)-methyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H21BrN4O4/c1-26(21(29)13-8-9-17(30-2)15(22)12-13)11-5-10-23-20(28)18-24-16-7-4-3-6-14(16)19(27)25-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,23,28)(H,24,25,27)