5-azanyl-2-[(4-butylphenyl)methyl]-4-methyl-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-butylphenyl)methyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-butylphenyl)methyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-butylphenyl)methyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-butylphenyl)methyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-butylbenzyl)-4-methyl-3-pyrazolin-3-one Formula: C15H21N3O MolecularWeight: 259.34674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C(=O)C(=C(N2)N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C(=O)C(=C(N2)N)C

InChI

InChI=1S/C15H21N3O/c1-3-4-5-12-6-8-13(9-7-12)10-18-15(19)11(2)14(16)17-18/h6-9,17H,3-5,10,16H2,1-2H3