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

Systemtic Name: 3-[3,4-bis(bromanyl)phenyl]-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-butanal Openeye Name: 3-(3,4-dibromophenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-butanal CAS Name: 3-(3,4-dibromophenyl)-3-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-oxobutanal IUPAC Name: 3-(3,4-dibromophenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanal Traditional Name: 3-(3,4-dibromophenyl)-4-keto-3-methyl-4-[4-(4-methylpiperazino)piperidino]butyraldehyde Formula: C21H29Br2N3O2 MolecularWeight: 515.28186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29Br2N3O2/c1-21(7-14-27,16-3-4-18(22)19(23)15-16)20(28)26-8-5-17(6-9-26)25-12-10-24(2)11-13-25/h3-4,14-15,17H,5-13H2,1-2H3