5-azanyl-1-[3-chloranyl-6-[(phenylmethyl)amino]-5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[3-chloranyl-6-[(phenylmethyl)amino]-5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(benzylamino)-3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[3-chloro-6-[(phenylmethyl)amino]-5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(benzylamino)-3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(benzylamino)-3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carbonitrile Formula: C17H12ClF3N6 MolecularWeight: 392.76559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=C(C=C2C(F)(F)F)Cl)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=C(C=C2C(F)(F)F)Cl)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C17H12ClF3N6/c18-13-6-12(17(19,20)21)15(24-8-10-4-2-1-3-5-10)26-16(13)27-14(23)11(7-22)9-25-27/h1-6,9H,8,23H2,(H,24,26)