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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,2-benzoxazol-3-yl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,2-benzoxazol-3-yl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(1,2-benzoxazol-3-yl)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,2-benzoxazol-3-yl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-indoxazen-3-yl-acetamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CC4=NOC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CC4=NOC5=CC=CC=C54

InChI

InChI=1S/C25H25N5O2/c31-25(17-22-20-10-3-4-11-23(20)32-29-22)26-19-9-7-8-18(16-19)21-12-13-24(28-27-21)30-14-5-1-2-6-15-30/h3-4,7-13,16H,1-2,5-6,14-15,17H2,(H,26,31)