(E)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]-3-(3,4,5-trimethoxyphenyl)acrylamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C22H28N4O4/c1-28-18-12-16(13-19(29-2)21(18)30-3)7-8-20(27)25-14-17-6-4-11-26(15-17)22-23-9-5-10-24-22/h5,7-10,12-13,17H,4,6,11,14-15H2,1-3H3,(H,25,27)/b8-7+