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

Systemtic Name: 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4

Isomeric SMILES

CCCCC1=NC=C(N1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H37N5O3/c1-2-3-4-24-27-13-22(28-24)15-29-16-23(33-19-21-5-9-26-10-6-21)17-30(25(31)18-29)14-20-7-11-32-12-8-20/h5-6,9-10,13,20,23H,2-4,7-8,11-12,14-19H2,1H3,(H,27,28)