N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H26N4O3 MolecularWeight: 430.49894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H26N4O3/c30-25(23-17-31-21-10-3-4-11-22(21)32-23)26-19-9-7-8-18(16-19)20-12-13-24(28-27-20)29-14-5-1-2-6-15-29/h3-4,7-13,16,23H,1-2,5-6,14-15,17H2,(H,26,30)