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

Systemtic Name: 3-(3,5-dimethyl-4-oxidanyl-phenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-butanal Openeye Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-butanal CAS Name: 3-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-oxobutanal IUPAC Name: 3-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanal Traditional Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-4-keto-3-methyl-4-[4-(4-methylpiperazino)piperidino]butyraldehyde Formula: C23H35N3O3 MolecularWeight: 401.5423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(C)(CC=O)C(=O)N2CCC(CC2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(C)(CC=O)C(=O)N2CCC(CC2)N3CCN(CC3)C

InChI

InChI=1S/C23H35N3O3/c1-17-15-19(16-18(2)21(17)28)23(3,7-14-27)22(29)26-8-5-20(6-9-26)25-12-10-24(4)11-13-25/h14-16,20,28H,5-13H2,1-4H3