3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-(3-methylphenoxy)propyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-(3-methylphenoxy)propyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[3-(3-methylphenoxy)propyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[3-(3-methylphenoxy)propyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-(3-methylphenoxy)propyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[3-(3-methylphenoxy)propyl]propionamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-15-4-2-5-17(12-15)28-11-3-9-23-20(26)8-10-25-14-24-19-7-6-16(22)13-18(19)21(25)27/h2,4-7,12-14H,3,8-11H2,1H3,(H,23,26)