4-(1-ethylpyrazol-4-yl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-ethylpyrazole-4-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-ethylpyrazole-4-carbonyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-ethylpyrazole-4-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4

InChI

InChI=1S/C23H31N5O4/c1-2-28-13-20(11-25-28)23(30)27-15-21(32-17-19-3-7-24-8-4-19)14-26(22(29)16-27)12-18-5-9-31-10-6-18/h3-4,7-8,11,13,18,21H,2,5-6,9-10,12,14-17H2,1H3