N-(1,3-benzodioxol-5-ylmethyl)-2-bromanyl-11-oxidanylidene-pyrido[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-bromanyl-11-oxidanylidene-pyrido[2,1-b]quinazoline-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-11-oxo-pyrido[2,1-b]quinazoline-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-11-oxo-6-pyrido[2,1-b]quinazolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-11-oxopyrido[2,1-b]quinazoline-6-carboxamide Traditional Name: 2-bromo-11-keto-N-piperonyl-pyrido[2,1-b]quinazoline-6-carboxamide Formula: C21H14BrN3O4 MolecularWeight: 452.25756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C21H14BrN3O4/c22-13-4-5-16-15(9-13)21(27)25-7-1-2-14(19(25)24-16)20(26)23-10-12-3-6-17-18(8-12)29-11-28-17/h1-9H,10-11H2,(H,23,26)