N-[2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]-2-keto-ethyl]-4-phenoxy-benzamide Formula: C27H26BrN3O5 MolecularWeight: 552.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H26BrN3O5/c1-35-22-11-12-24(28)23(17-22)27(34)31-15-13-30(14-16-31)25(32)18-29-26(33)19-7-9-21(10-8-19)36-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,29,33)