[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-bromo-2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-bromo-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: [6-bromo-2-(4-pyridyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C27H23BrN4O3 MolecularWeight: 531.40052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=NC=C6

InChI

InChI=1S/C27H23BrN4O3/c28-20-2-3-23-21(14-20)22(15-24(30-23)19-5-7-29-8-6-19)27(33)32-11-9-31(10-12-32)16-18-1-4-25-26(13-18)35-17-34-25/h1-8,13-15H,9-12,16-17H2