4-[5-azanyl-4-(1,3-benzodioxol-5-yl)-1-methyl-pyrazol-3-yl]oxybutanoate

Systemtic Name: 4-[5-azanyl-4-(1,3-benzodioxol-5-yl)-1-methyl-pyrazol-3-yl]oxybutanoate Openeye Name: 4-[5-amino-4-(1,3-benzodioxol-5-yl)-1-methyl-pyrazol-3-yl]oxybutanoate CAS Name: 4-[[5-amino-4-(1,3-benzodioxol-5-yl)-1-methyl-3-pyrazolyl]oxy]butanoate IUPAC Name: 4-[5-amino-4-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]oxybutanoate Traditional Name: 4-[5-amino-4-(1,3-benzodioxol-5-yl)-1-methyl-pyrazol-3-yl]oxybutyrate Formula: C15H16N3O5- MolecularWeight: 318.30464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)OCCCC(=O)[O-])C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CN1C(=C(C(=N1)OCCCC(=O)[O-])C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C15H17N3O5/c1-18-14(16)13(15(17-18)21-6-2-3-12(19)20)9-4-5-10-11(7-9)23-8-22-10/h4-5,7H,2-3,6,8,16H2,1H3,(H,19,20)/p-1