3-[[4-[(4-chloranyl-1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(4-chloranyl-1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[4-(4-chloro-1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)azo-N-ethyl-3-methyl-anilino]propanenitrile CAS Name: 3-[4-[(4-chloro-1,2-dimethyl-5-phenyl-3-pyrazol-2-iumyl)azo]-N-ethyl-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(4-chloro-1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile Traditional Name: 3-[4-(4-chloro-1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)azo-N-ethyl-3-methyl-anilino]propionitrile Formula: C23H26ClN6+ MolecularWeight: 421.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2Cl)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2Cl)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C23H26ClN6/c1-5-30(15-9-14-25)19-12-13-20(17(2)16-19)26-27-23-21(24)22(28(3)29(23)4)18-10-7-6-8-11-18/h6-8,10-13,16H,5,9,15H2,1-4H3/q+1