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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(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)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

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