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

Systemtic Name: 3-[3,5-bis(bromanyl)phenyl]-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-butanal Openeye Name: 3-(3,5-dibromophenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-butanal CAS Name: 3-(3,5-dibromophenyl)-3-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-oxobutanal IUPAC Name: 3-(3,5-dibromophenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanal Traditional Name: 3-(3,5-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(=CC(=C1)Br)Br)C(=O)N2CCC(CC2)N3CCN(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29Br2N3O2/c1-21(5-12-27,16-13-17(22)15-18(23)14-16)20(28)26-6-3-19(4-7-26)25-10-8-24(2)9-11-25/h12-15,19H,3-11H2,1-2H3