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

Systemtic Name: 3-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-butanal Openeye Name: 3-(3,5-dibromo-4-methyl-phenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-butanal CAS Name: 3-(3,5-dibromo-4-methylphenyl)-3-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-oxobutanal IUPAC Name: 3-(3,5-dibromo-4-methylphenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanal Traditional Name: 3-(3,5-dibromo-4-methyl-phenyl)-4-keto-3-methyl-4-[4-(4-methylpiperazino)piperidino]butyraldehyde Formula: C22H31Br2N3O2 MolecularWeight: 529.30844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)C(C)(CC=O)C(=O)N2CCC(CC2)N3CCN(CC3)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)C(C)(CC=O)C(=O)N2CCC(CC2)N3CCN(CC3)C)Br

InChI

InChI=1S/C22H31Br2N3O2/c1-16-19(23)14-17(15-20(16)24)22(2,6-13-28)21(29)27-7-4-18(5-8-27)26-11-9-25(3)10-12-26/h13-15,18H,4-12H2,1-3H3