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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C26H28N4O3/c1-18-25(33-23-12-5-4-11-22(23)32-18)26(31)27-20-10-8-9-19(17-20)21-13-14-24(29-28-21)30-15-6-2-3-7-16-30/h4-5,8-14,17-18,25H,2-3,6-7,15-16H2,1H3,(H,27,31)