4-(2-cyclopentylethanoyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2-cyclopentylethanoyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(2-cyclopentylacetyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(2-cyclopentyl-1-oxoethyl)-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(2-cyclopentylacetyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)CC(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H31N3O3/c29-24(13-20-7-4-5-8-20)28-17-23(31-19-22-11-6-12-26-14-22)16-27(25(30)18-28)15-21-9-2-1-3-10-21/h1-3,6,9-12,14,20,23H,4-5,7-8,13,15-19H2