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

Systemtic Name: 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-N-cyclopropyl-benzamide CAS Name: 2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-N-cyclopropylbenzamide Traditional Name: 2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-N-cyclopropyl-benzamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

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