N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyanopyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyanopyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyano-2-pyridyl)piperazine-1-carboxamide CAS Name: N-[1-(4-chlorophenyl)-2-methylpropyl]-4-(4-cyano-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(4-chlorophenyl)-2-methylpropyl]-4-(4-cyanopyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyano-2-pyridyl)piperazine-1-carboxamide Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O/c1-15(2)20(17-3-5-18(22)6-4-17)25-21(28)27-11-9-26(10-12-27)19-13-16(14-23)7-8-24-19/h3-8,13,15,20H,9-12H2,1-2H3,(H,25,28)