6-[4-(3-fluoranyl-4-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(3-fluoro-4-methyl-benzoyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(3-fluoro-4-methyl-benzoyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C23H23FN4O2/c1-17-8-9-18(16-20(17)24)23(30)27-13-5-12-26(14-15-27)21-10-11-22(29)28(25-21)19-6-3-2-4-7-19/h2-4,6-11,16H,5,12-15H2,1H3