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

Systemtic Name: N-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide Openeye Name: N-(2,6-dibromo-4-isopropyl-phenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide CAS Name: N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide Traditional Name: N-(2,6-dibromo-4-isopropyl-phenyl)-4-o-phenetyl-piperazine-1-carboxamide Formula: C22H27Br2N3O2 MolecularWeight: 525.27668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=C(C=C(C=C3Br)C(C)C)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=C(C=C(C=C3Br)C(C)C)Br

InChI

InChI=1S/C22H27Br2N3O2/c1-4-29-20-8-6-5-7-19(20)26-9-11-27(12-10-26)22(28)25-21-17(23)13-16(15(2)3)14-18(21)24/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,28)