N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide Openeye Name: N-(2,6-dibromo-4-isopropyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide CAS Name: N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide Traditional Name: N-(2,6-dibromo-4-isopropyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide Formula: C21H25Br2N3O2 MolecularWeight: 511.2501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Br2N3O2/c1-14(2)15-11-18(22)20(19(23)12-15)24-21(27)26-9-7-25(8-10-26)16-5-4-6-17(13-16)28-3/h4-6,11-14H,7-10H2,1-3H3,(H,24,27)