N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]propanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]propanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3-piperidyl]propanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinyl]propanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]propanamide Traditional Name: N-m-anisyl-3-[(3R)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]propionamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C25H31N5O2/c1-32-23-9-2-6-21(16-23)17-28-24(31)11-10-20-7-3-14-29(18-20)19-22-8-4-15-30(22)25-26-12-5-13-27-25/h2,4-6,8-9,12-13,15-16,20H,3,7,10-11,14,17-19H2,1H3,(H,28,31)/t20-/m1/s1