2-[4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]piperazino]-N-tert-butyl-acetamide Formula: C20H28BrN3O2 MolecularWeight: 422.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC(=O)NC(C)(C)C)Br

InChI

InChI=1S/C20H28BrN3O2/c1-15-5-6-16(17(21)13-15)7-8-19(26)24-11-9-23(10-12-24)14-18(25)22-20(2,3)4/h5-8,13H,9-12,14H2,1-4H3,(H,22,25)/b8-7+