5-azanyl-2-butan-2-yl-1-tert-butyl-4-(2-methylphenyl)pyrazol-3-one

Systemtic Name: 5-azanyl-2-butan-2-yl-1-tert-butyl-4-(2-methylphenyl)pyrazol-3-one Openeye Name: 5-amino-1-tert-butyl-4-(o-tolyl)-2-sec-butyl-pyrazol-3-one CAS Name: 5-amino-2-butan-2-yl-1-tert-butyl-4-(2-methylphenyl)-3-pyrazolone IUPAC Name: 5-amino-2-butan-2-yl-1-tert-butyl-4-(2-methylphenyl)pyrazol-3-one Traditional Name: 5-amino-1-tert-butyl-4-(o-tolyl)-2-sec-butyl-3-pyrazolin-3-one Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(N1C(C)(C)C)N)C2=CC=CC=C2C

Isomeric SMILES

CCC(C)N1C(=O)C(=C(N1C(C)(C)C)N)C2=CC=CC=C2C

InChI

InChI=1S/C18H27N3O/c1-7-13(3)20-17(22)15(14-11-9-8-10-12(14)2)16(19)21(20)18(4,5)6/h8-11,13H,7,19H2,1-6H3