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

Systemtic Name: N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(4-cyanophenyl)piperazine-1-carboxamide Openeye Name: 4-(4-cyanophenyl)-N-(2,6-dibromo-4-isopropyl-phenyl)piperazine-1-carboxamide CAS Name: 4-(4-cyanophenyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-cyanophenyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)piperazine-1-carboxamide Traditional Name: 4-(4-cyanophenyl)-N-(2,6-dibromo-4-isopropyl-phenyl)piperazine-1-carboxamide Formula: C21H22Br2N4O MolecularWeight: 506.23358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Br2N4O/c1-14(2)16-11-18(22)20(19(23)12-16)25-21(28)27-9-7-26(8-10-27)17-5-3-15(13-24)4-6-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,25,28)