5-chloranyl-2-methyl-4-[(3-oxidanyl-3-phenyl-propyl)-(phenylmethyl)amino]pyridazin-3-one

Systemtic Name: 5-chloranyl-2-methyl-4-[(3-oxidanyl-3-phenyl-propyl)-(phenylmethyl)amino]pyridazin-3-one Openeye Name: 4-[benzyl-(3-hydroxy-3-phenyl-propyl)amino]-5-chloro-2-methyl-pyridazin-3-one CAS Name: 5-chloro-4-[(3-hydroxy-3-phenylpropyl)-(phenylmethyl)amino]-2-methyl-3-pyridazinone IUPAC Name: 4-[benzyl-(3-hydroxy-3-phenylpropyl)amino]-5-chloro-2-methylpyridazin-3-one Traditional Name: 4-[benzyl-(3-hydroxy-3-phenyl-propyl)amino]-5-chloro-2-methyl-pyridazin-3-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)Cl)N(CCC(C2=CC=CC=C2)O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)Cl)N(CCC(C2=CC=CC=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-24-21(27)20(18(22)14-23-24)25(15-16-8-4-2-5-9-16)13-12-19(26)17-10-6-3-7-11-17/h2-11,14,19,26H,12-13,15H2,1H3