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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-4-(5-quinoxalinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CN=CC=C5

InChI

InChI=1S/C25H27N7O2/c1-30-12-20(11-29-30)13-32-16-22(34-18-19-4-3-7-26-10-19)15-31(17-24(32)33)14-21-5-2-6-23-25(21)28-9-8-27-23/h2-12,22H,13-18H2,1H3