5-butyl-3-chloranyl-6-phenoxy-1-(phenylmethyl)pyridazin-4-one

Systemtic Name: 5-butyl-3-chloranyl-6-phenoxy-1-(phenylmethyl)pyridazin-4-one Openeye Name: 1-benzyl-5-butyl-3-chloro-6-phenoxy-pyridazin-4-one CAS Name: 5-butyl-3-chloro-6-phenoxy-1-(phenylmethyl)-4-pyridazinone IUPAC Name: 1-benzyl-5-butyl-3-chloro-6-phenoxypyridazin-4-one Traditional Name: 1-benzyl-5-butyl-3-chloro-6-phenoxy-pyridazin-4-one Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C(C1=O)Cl)CC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N(N=C(C1=O)Cl)CC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O2/c1-2-3-14-18-19(25)20(22)23-24(15-16-10-6-4-7-11-16)21(18)26-17-12-8-5-9-13-17/h4-13H,2-3,14-15H2,1H3