N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-homopiperonyl-propionamide Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O4/c21-14-2-3-16-15(10-14)20(26)24(11-23-16)8-6-19(25)22-7-5-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-11H,5-8,12H2,(H,22,25)