N-[5-bromanyl-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]-8-methoxy-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[5-bromanyl-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]-8-methoxy-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-5-bromo-phenyl]-8-methoxy-2-oxo-chromene-3-carboxamide CAS Name: N-[5-bromo-2-[4-(phenylmethyl)-1-piperazinyl]phenyl]-8-methoxy-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-8-methoxy-2-oxochromene-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-5-bromo-phenyl]-2-keto-8-methoxy-chromene-3-carboxamide Formula: C28H26BrN3O4 MolecularWeight: 548.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Br)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Br)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26BrN3O4/c1-35-25-9-5-8-20-16-22(28(34)36-26(20)25)27(33)30-23-17-21(29)10-11-24(23)32-14-12-31(13-15-32)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,30,33)