3-methyl-1-[4-(phenylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)butan-1-one

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-(3,4,5-trimethoxyphenoxy)butan-1-one CAS Name: 3-methyl-1-[4-(phenylmethyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenoxy)-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-(3,4,5-trimethoxyphenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-methyl-2-(3,4,5-trimethoxyphenoxy)butan-1-one Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H34N2O5/c1-18(2)23(32-20-15-21(29-3)24(31-5)22(16-20)30-4)25(28)27-13-11-26(12-14-27)17-19-9-7-6-8-10-19/h6-10,15-16,18,23H,11-14,17H2,1-5H3