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

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1S)-1-phenylbutyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(1S)-1-phenylbutyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(1S)-1-phenylbutyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-phenylbutyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[(1S)-1-phenylbutyl]propionamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-2-6-18(15-7-4-3-5-8-15)24-20(26)11-12-25-14-23-19-10-9-16(22)13-17(19)21(25)27/h3-5,7-10,13-14,18H,2,6,11-12H2,1H3,(H,24,26)/t18-/m0/s1