3-[4-(phenylmethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-27-21-15-19(16-22(28-2)23(21)29-3)20(26)9-10-24-11-13-25(14-12-24)17-18-7-5-4-6-8-18/h4-8,15-16H,9-14,17H2,1-3H3