4-(3-chloranylpyridin-2-yl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methyl-piperazine-1-carboxamide Openeye Name: 4-(3-chloro-2-pyridyl)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-piperazine-1-carboxamide CAS Name: 4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-(3-chloropyridin-2-yl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide Traditional Name: 4-(3-chloro-2-pyridyl)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-piperazine-1-carboxamide Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C#N)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C#N)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C21H24ClN5O/c1-15-13-26(19-18(22)5-4-10-24-19)11-12-27(15)20(28)25-17-8-6-16(7-9-17)21(2,3)14-23/h4-10,15H,11-13H2,1-3H3,(H,25,28)