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

Systemtic Name: N-[2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-quinoline-2-carboxamide Openeye Name: N-[2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-2-oxo-ethyl]-4-methoxy-quinoline-2-carboxamide CAS Name: N-[2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-4-methoxy-2-quinolinecarboxamide IUPAC Name: N-[2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide Traditional Name: N-[2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]-2-keto-ethyl]-4-methoxy-quinaldamide Formula: C25H25BrN4O5 MolecularWeight: 541.3938

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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=NC4=CC=CC=C4C(=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)CNC(=O)C3=NC4=CC=CC=C4C(=C3)OC

InChI

InChI=1S/C25H25BrN4O5/c1-34-16-7-8-19(26)18(13-16)25(33)30-11-9-29(10-12-30)23(31)15-27-24(32)21-14-22(35-2)17-5-3-4-6-20(17)28-21/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,32)