4-(3-azanylpropyl)-2-[(2-chlorophenyl)methyl]-6-(4-fluoranyl-3-methyl-phenyl)pyridazin-3-one

Systemtic Name: 4-(3-azanylpropyl)-2-[(2-chlorophenyl)methyl]-6-(4-fluoranyl-3-methyl-phenyl)pyridazin-3-one Openeye Name: 4-(3-aminopropyl)-2-[(2-chlorophenyl)methyl]-6-(4-fluoro-3-methyl-phenyl)pyridazin-3-one CAS Name: 4-(3-aminopropyl)-2-[(2-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-3-pyridazinone IUPAC Name: 4-(3-aminopropyl)-2-[(2-chlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridazin-3-one Traditional Name: 4-(3-aminopropyl)-2-(2-chlorobenzyl)-6-(4-fluoro-3-methyl-phenyl)pyridazin-3-one Formula: C21H21ClFN3O MolecularWeight: 385.862343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CCCN)CC3=CC=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CCCN)CC3=CC=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFN3O/c1-14-11-15(8-9-19(14)23)20-12-16(6-4-10-24)21(27)26(25-20)13-17-5-2-3-7-18(17)22/h2-3,5,7-9,11-12H,4,6,10,13,24H2,1H3