5-azanyl-4-methyl-2-(3-phenylbutan-2-yl)-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-methyl-2-(3-phenylbutan-2-yl)-1H-pyrazol-3-one Openeye Name: 5-amino-4-methyl-2-(1-methyl-2-phenyl-propyl)-1H-pyrazol-3-one CAS Name: 5-amino-4-methyl-2-(3-phenylbutan-2-yl)-1H-pyrazol-3-one IUPAC Name: 5-amino-4-methyl-2-(3-phenylbutan-2-yl)-1H-pyrazol-3-one Traditional Name: 5-amino-4-methyl-2-(1-methyl-2-phenyl-propyl)-3-pyrazolin-3-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C(C)C(C)C2=CC=CC=C2)N

Isomeric SMILES

CC1=C(NN(C1=O)C(C)C(C)C2=CC=CC=C2)N

InChI

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