5-azanyl-1-(4-bromophenyl)-3-(3-oxidanylpropoxy)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(4-bromophenyl)-3-(3-oxidanylpropoxy)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(4-bromophenyl)-3-(3-hydroxypropoxy)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(4-bromophenyl)-3-(3-hydroxypropoxy)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(4-bromophenyl)-3-(3-hydroxypropoxy)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-bromophenyl)-3-(3-hydroxypropoxy)pyrazole-4-carbonitrile Formula: C13H13BrN4O2 MolecularWeight: 337.17192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)OCCCO)C#N)N)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)OCCCO)C#N)N)Br

InChI

InChI=1S/C13H13BrN4O2/c14-9-2-4-10(5-3-9)18-12(16)11(8-15)13(17-18)20-7-1-6-19/h2-5,19H,1,6-7,16H2