4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(N=CN1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H31N5O3/c1-17-21(25-16-24-17)13-26-11-20(30-15-19-3-2-6-23-9-19)12-27(22(28)14-26)10-18-4-7-29-8-5-18/h2-3,6,9,16,18,20H,4-5,7-8,10-15H2,1H3,(H,24,25)