N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-(2,6-dibromo-4-isopropyl-phenyl)piperazine-1-carboxamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-(2,6-dibromo-4-propan-2-ylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-(2,6-dibromo-4-isopropyl-phenyl)piperazine-1-carboxamide Formula: C20H21Br2N5O MolecularWeight: 507.22164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Br2N5O/c1-13(2)15-9-16(21)19(17(22)10-15)25-20(28)27-7-5-26(6-8-27)18-4-3-14(11-23)12-24-18/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,25,28)