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

Systemtic Name: 5-(azepan-1-yl)-4-chloranyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 5-(azepan-1-yl)-2-benzyl-4-chloro-pyridazin-3-one CAS Name: 5-(1-azepanyl)-4-chloro-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 5-(azepan-1-yl)-2-benzyl-4-chloropyridazin-3-one Traditional Name: 5-(azepan-1-yl)-2-benzyl-4-chloro-pyridazin-3-one Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN3O/c18-16-15(20-10-6-1-2-7-11-20)12-19-21(17(16)22)13-14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11,13H2