5-azanyl-1-(2-chloranyl-4-propyl-phenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(2-chloranyl-4-propyl-phenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(2-chloro-4-propyl-phenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2-chloro-4-propylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2-chloro-4-propylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(2-chloro-4-propyl-phenyl)pyrazole-4-carbonitrile Formula: C13H13ClN4 MolecularWeight: 260.72212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)N2C(=C(C=N2)C#N)N)Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)N2C(=C(C=N2)C#N)N)Cl

InChI

InChI=1S/C13H13ClN4/c1-2-3-9-4-5-12(11(14)6-9)18-13(16)10(7-15)8-17-18/h4-6,8H,2-3,16H2,1H3