1-(oxan-4-ylmethyl)-4-[(1R,2R)-2-phenylcyclopropyl]carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-4-[(1R,2R)-2-phenylcyclopropyl]carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(1R,2R)-2-phenylcyclopropanecarbonyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[oxo-[(1R,2R)-2-phenylcyclopropyl]methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(1R,2R)-2-phenylcyclopropanecarbonyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)C3CC3C4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H33N3O4/c31-26-18-30(27(32)25-13-24(25)22-6-2-1-3-7-22)17-23(34-19-21-5-4-10-28-14-21)16-29(26)15-20-8-11-33-12-9-20/h1-7,10,14,20,23-25H,8-9,11-13,15-19H2/t23?,24-,25+/m0/s1