1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-(5-quinolylmethyl)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-4-(5-quinolinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-(5-quinolylmethyl)-1,4-diazepan-2-one Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=C4C=CC=NC4=CC=C3)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=C4C=CC=NC4=CC=C3)OCC5=CN=CC=C5

InChI

InChI=1S/C26H28N6O2/c1-30-13-21(12-29-30)14-32-17-23(34-19-20-5-3-9-27-11-20)16-31(18-26(32)33)15-22-6-2-8-25-24(22)7-4-10-28-25/h2-13,23H,14-19H2,1H3