5-(azepan-1-yl)-2-(1H-benzimidazol-2-yl)-4-chloranyl-pyridazin-3-one

Systemtic Name: 5-(azepan-1-yl)-2-(1H-benzimidazol-2-yl)-4-chloranyl-pyridazin-3-one Openeye Name: 5-(azepan-1-yl)-2-(1H-benzimidazol-2-yl)-4-chloro-pyridazin-3-one CAS Name: 5-(1-azepanyl)-2-(1H-benzimidazol-2-yl)-4-chloro-3-pyridazinone IUPAC Name: 5-(azepan-1-yl)-2-(1H-benzimidazol-2-yl)-4-chloropyridazin-3-one Traditional Name: 5-(azepan-1-yl)-2-(1H-benzimidazol-2-yl)-4-chloro-pyridazin-3-one Formula: C17H18ClN5O MolecularWeight: 343.81072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C17H18ClN5O/c18-15-14(22-9-5-1-2-6-10-22)11-19-23(16(15)24)17-20-12-7-3-4-8-13(12)21-17/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,20,21)