4-[2-[2-(2-dimethylaminoethyloxy)phenyl]-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-methyl-4-oxidanylidene-butanal

Systemtic Name: 4-[2-[2-(2-dimethylaminoethyloxy)phenyl]-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-methyl-4-oxidanylidene-butanal Openeye Name: 4-[2-[2-(2-dimethylaminoethyloxy)phenyl]-4-(4-methylpiperazin-1-yl)-1-piperidyl]-3-methyl-4-oxo-butanal CAS Name: 4-[2-[2-(2-dimethylaminoethyloxy)phenyl]-4-(4-methyl-1-piperazinyl)-1-piperidinyl]-3-methyl-4-oxobutanal IUPAC Name: 4-[2-[2-(2-dimethylaminoethyloxy)phenyl]-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-methyl-4-oxobutanal Traditional Name: 4-[2-[2-(2-dimethylaminoethyloxy)phenyl]-4-(4-methylpiperazino)piperidino]-4-keto-3-methyl-butyraldehyde Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C(=O)N1CCC(CC1C2=CC=CC=C2OCCN(C)C)N3CCN(CC3)C

Isomeric SMILES

CC(CC=O)C(=O)N1CCC(CC1C2=CC=CC=C2OCCN(C)C)N3CCN(CC3)C

InChI

InChI=1S/C25H40N4O3/c1-20(10-17-30)25(31)29-11-9-21(28-14-12-27(4)13-15-28)19-23(29)22-7-5-6-8-24(22)32-18-16-26(2)3/h5-8,17,20-21,23H,9-16,18-19H2,1-4H3