4-chloranyl-5-[3-oxidanylpropyl-(phenylmethyl)amino]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[3-oxidanylpropyl-(phenylmethyl)amino]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-5-[benzyl(3-hydroxypropyl)amino]-4-chloro-pyridazin-3-one CAS Name: 4-chloro-5-[3-hydroxypropyl-(phenylmethyl)amino]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-5-[benzyl(3-hydroxypropyl)amino]-4-chloropyridazin-3-one Traditional Name: 2-benzyl-5-[benzyl(3-hydroxypropyl)amino]-4-chloro-pyridazin-3-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)N(CCCO)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)N(CCCO)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c22-20-19(24(12-7-13-26)15-17-8-3-1-4-9-17)14-23-25(21(20)27)16-18-10-5-2-6-11-18/h1-6,8-11,14,26H,7,12-13,15-16H2