1,3-benzodioxol-5-yl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazino]methanone Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H21N5O3/c31-25(17-7-8-21-22(14-17)33-16-32-21)30-12-10-29(11-13-30)24-19-5-1-2-6-20(19)27-23(28-24)18-4-3-9-26-15-18/h1-9,14-15H,10-13,16H2