N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-keto-1,3-benzoxazol-3-yl)acetamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H25N5O3/c31-24(17-30-21-10-3-4-11-22(21)33-25(30)32)26-19-9-7-8-18(16-19)20-12-13-23(28-27-20)29-14-5-1-2-6-15-29/h3-4,7-13,16H,1-2,5-6,14-15,17H2,(H,26,31)