N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-yl-ethyl]-3-[5-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-yl-ethyl]-3-[5-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidyl)ethyl]-3-[5-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidinyl)ethyl]-3-[5-(3,4,5-trimethoxyphenyl)-2-pyrimidinyl]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-ylethyl]-3-[5-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]propanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidyl)ethyl]-3-[5-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]propionamide Formula: C30H36N4O6 MolecularWeight: 548.63004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CN=C(N=C2)CCC(=O)NC(CC3=CC4=C(C=C3)OCO4)C5CCCNC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CN=C(N=C2)CCC(=O)NC(CC3=CC4=C(C=C3)OCO4)C5CCCNC5

InChI

InChI=1S/C30H36N4O6/c1-36-26-13-21(14-27(37-2)30(26)38-3)22-16-32-28(33-17-22)8-9-29(35)34-23(20-5-4-10-31-15-20)11-19-6-7-24-25(12-19)40-18-39-24/h6-7,12-14,16-17,20,23,31H,4-5,8-11,15,18H2,1-3H3,(H,34,35)