1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-4-(1H-pyrazol-5-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CN=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-30-21-6-4-18(5-7-21)12-28-15-22(31-17-19-3-2-9-24-11-19)14-27(16-23(28)29)13-20-8-10-25-26-20/h2-11,22H,12-17H2,1H3,(H,25,26)