N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[(1S)-1-(2-benzofuranyl)ethyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3/c1-13(19-10-14-4-2-3-5-18(14)28-19)24-20(26)8-9-25-12-23-17-7-6-15(22)11-16(17)21(25)27/h2-7,10-13H,8-9H2,1H3,(H,24,26)/t13-/m0/s1