3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-butanal

Systemtic Name: 3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-butanal Openeye Name: 3-(3,5-dibromo-4-methoxy-phenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-butanal CAS Name: 3-(3,5-dibromo-4-methoxyphenyl)-3-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-oxobutanal IUPAC Name: 3-(3,5-dibromo-4-methoxyphenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanal Traditional Name: 3-(3,5-dibromo-4-methoxy-phenyl)-4-keto-3-methyl-4-[4-(4-methylpiperazino)piperidino]butyraldehyde Formula: C22H31Br2N3O3 MolecularWeight: 545.30784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)(C1=CC(=C(C(=C1)Br)OC)Br)C(=O)N2CCC(CC2)N3CCN(CC3)C

Isomeric SMILES

CC(CC=O)(C1=CC(=C(C(=C1)Br)OC)Br)C(=O)N2CCC(CC2)N3CCN(CC3)C

InChI

InChI=1S/C22H31Br2N3O3/c1-22(6-13-28,16-14-18(23)20(30-3)19(24)15-16)21(29)27-7-4-17(5-8-27)26-11-9-25(2)10-12-26/h13-15,17H,4-12H2,1-3H3