N'-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-N-cyano-piperazine-1-carboximidamide

Systemtic Name: N'-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-N-cyano-piperazine-1-carboximidamide Openeye Name: N'-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-N-cyano-piperazine-1-carboxamidine CAS Name: N'-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-N-cyano-1-piperazinecarboximidamide IUPAC Name: N'-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)-N-cyanopiperazine-1-carboximidamide Traditional Name: N'-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-N-cyano-piperazine-1-carboxamidine Formula: C21H25ClN6 MolecularWeight: 396.9164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N=C(NC#N)N2CCN(CC2)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N=C(NC#N)N2CCN(CC2)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C21H25ClN6/c1-21(2,3)16-6-8-17(9-7-16)26-20(25-15-23)28-13-11-27(12-14-28)19-18(22)5-4-10-24-19/h4-10H,11-14H2,1-3H3,(H,25,26)