5-methyl-4-(7-methyloctanoyl)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(7-methyloctanoyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-(7-methyloctanoyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(7-methyl-1-oxooctyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(7-methyloctanoyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-(7-methyloctanoyl)-2-phenyl-3-pyrazolin-3-one Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)CCCCCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)CCCCCC(C)C

InChI

InChI=1S/C19H26N2O2/c1-14(2)10-6-4-9-13-17(22)18-15(3)20-21(19(18)23)16-11-7-5-8-12-16/h5,7-8,11-12,14,20H,4,6,9-10,13H2,1-3H3