3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-chloranyl-quinazolin-4-one

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-chloranyl-quinazolin-4-one Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-6-chloro-quinazolin-4-one CAS Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-6-chloro-4-quinazolinone IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-chloroquinazolin-4-one Traditional Name: 6-chloro-3-[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl]quinazolin-4-one Formula: C24H20ClN3O4 MolecularWeight: 449.8863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=NC5=C(C4=O)C=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=NC5=C(C4=O)C=C(C=C5)Cl

InChI

InChI=1S/C24H20ClN3O4/c1-14-7-18(15(2)28(14)10-16-3-6-22-23(8-16)32-13-31-22)21(29)11-27-12-26-20-5-4-17(25)9-19(20)24(27)30/h3-9,12H,10-11,13H2,1-2H3