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

Systemtic Name: N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-methoxy-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3-bromo-4-methoxybenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-methoxy-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)Br

InChI

InChI=1S/C20H19BrN4O4/c1-29-16-8-7-12(11-14(16)21)18(26)22-9-4-10-23-20(28)17-24-15-6-3-2-5-13(15)19(27)25-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,26)(H,23,28)(H,24,25,27)