2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-N-propan-2-yl-benzamide Openeye Name: 2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-N-isopropyl-benzamide CAS Name: 2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide Traditional Name: 2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-N-isopropyl-benzamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O3/c1-13(2)24-20(28)15-5-3-4-6-18(15)25-19(27)9-10-26-12-23-17-8-7-14(22)11-16(17)21(26)29/h3-8,11-13H,9-10H2,1-2H3,(H,24,28)(H,25,27)