1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(1H-pyrazol-5-ylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(1H-pyrazol-5-ylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O3/c27-22-16-25(13-20-6-9-23-24-20)14-21(29-17-19-4-2-1-3-5-19)15-26(22)12-18-7-10-28-11-8-18/h1-6,9,18,21H,7-8,10-17H2,(H,23,24)