4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1-methyl-4-pyrazolyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C24H29N5O2/c1-27-14-22(13-26-27)15-28-16-23(31-19-21-7-10-25-11-8-21)17-29(24(30)18-28)12-9-20-5-3-2-4-6-20/h2-8,10-11,13-14,23H,9,12,15-19H2,1H3