5-azanyl-4-butyl-2-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-butyl-2-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-4-butyl-2-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-4-butyl-2-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-4-butyl-2-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-4-butyl-2-(3,4-dichlorobenzyl)-3-pyrazolin-3-one Formula: C14H17Cl2N3O MolecularWeight: 314.21028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)CC2=CC(=C(C=C2)Cl)Cl)N

Isomeric SMILES

CCCCC1=C(NN(C1=O)CC2=CC(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C14H17Cl2N3O/c1-2-3-4-10-13(17)18-19(14(10)20)8-9-5-6-11(15)12(16)7-9/h5-7,18H,2-4,8,17H2,1H3