4-methyl-5-[4-[3-(1-oxidanylheptyl)pyrrol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 4-methyl-5-[4-[3-(1-oxidanylheptyl)pyrrol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-[4-[3-(1-hydroxyheptyl)pyrrol-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 5-[4-[3-(1-hydroxyheptyl)-1-pyrrolyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-[4-[3-(1-hydroxyheptyl)pyrrol-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-[4-[3-(1-hydroxyheptyl)pyrrol-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CN(C=C1)C2=CC=C(C=C2)C3C(C=NNC3=O)C)O

Isomeric SMILES

CCCCCCC(C1=CN(C=C1)C2=CC=C(C=C2)C3C(C=NNC3=O)C)O

InChI

InChI=1S/C22H29N3O2/c1-3-4-5-6-7-20(26)18-12-13-25(15-18)19-10-8-17(9-11-19)21-16(2)14-23-24-22(21)27/h8-16,20-21,26H,3-7H2,1-2H3,(H,24,27)