N-[3-[[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-(6-bromo-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-(6-bromo-4-keto-quinazolin-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O3/c22-15-6-7-18-17(9-15)21(29)26(12-24-18)11-19(27)23-10-13-2-1-3-16(8-13)25-20(28)14-4-5-14/h1-3,6-9,12,14H,4-5,10-11H2,(H,23,27)(H,25,28)