4-azanyl-1-methyl-2-(2-methylpropyl)-5-phenyl-pyrazol-3-one

Systemtic Name: 4-azanyl-1-methyl-2-(2-methylpropyl)-5-phenyl-pyrazol-3-one Openeye Name: 4-amino-2-isobutyl-1-methyl-5-phenyl-pyrazol-3-one CAS Name: 4-amino-1-methyl-2-(2-methylpropyl)-5-phenyl-3-pyrazolone IUPAC Name: 4-amino-1-methyl-2-(2-methylpropyl)-5-phenylpyrazol-3-one Traditional Name: 4-amino-2-isobutyl-1-methyl-5-phenyl-3-pyrazolin-3-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(N1C)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)CN1C(=O)C(=C(N1C)C2=CC=CC=C2)N

InChI

InChI=1S/C14H19N3O/c1-10(2)9-17-14(18)12(15)13(16(17)3)11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3