4-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-butanone IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one Traditional Name: 4-[4-(2-pyridyl)piperazino]-1-(3,4,5-trimethoxyphenyl)butan-1-one Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H29N3O4/c1-27-19-15-17(16-20(28-2)22(19)29-3)18(26)7-6-10-24-11-13-25(14-12-24)21-8-4-5-9-23-21/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3