N-(4-tert-butylphenyl)-4-(3-cyanopyridin-2-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(3-cyanopyridin-2-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridyl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(3-cyanopyridin-2-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(3-cyano-2-pyridyl)-2-methyl-piperazine-1-carboxamide Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-16-15-26(20-17(14-23)6-5-11-24-20)12-13-27(16)21(28)25-19-9-7-18(8-10-19)22(2,3)4/h5-11,16H,12-13,15H2,1-4H3,(H,25,28)