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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-yl-ethyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidyl)ethyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidinyl)ethyl]-3-[5-(4-methoxyphenyl)-2-pyrimidinyl]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-ylethyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidyl)ethyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]propionamide Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)CCC(=O)NC(CC3=CC4=C(C=C3)OCO4)C5CCCNC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)CCC(=O)NC(CC3=CC4=C(C=C3)OCO4)C5CCCNC5

InChI

InChI=1S/C28H32N4O4/c1-34-23-7-5-20(6-8-23)22-16-30-27(31-17-22)10-11-28(33)32-24(21-3-2-12-29-15-21)13-19-4-9-25-26(14-19)36-18-35-25/h4-9,14,16-17,21,24,29H,2-3,10-13,15,18H2,1H3,(H,32,33)