N-[4-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O3/c22-14-3-8-18-17(11-14)21(29)26(12-23-18)10-9-19(27)24-15-4-6-16(7-5-15)25-20(28)13-1-2-13/h3-8,11-13H,1-2,9-10H2,(H,24,27)(H,25,28)