4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(2-cyclopentyl-2-phenyl-ethanoyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(2-cyclopentyl-2-phenyl-ethanoyl)-1,4-diazepan-5-one Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-cyclopentyl-2-phenyl-acetyl)-1,4-diazepan-5-one CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-cyclopentyl-2-phenylacetyl)-1,4-diazepan-5-one Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-cyclopentyl-2-phenyl-acetyl)-1,4-diazepan-5-one Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C26H29ClN2O4/c27-21-15-23-22(32-17-33-23)14-20(21)16-29-13-12-28(11-10-24(29)30)26(31)25(19-8-4-5-9-19)18-6-2-1-3-7-18/h1-3,6-7,14-15,19,25H,4-5,8-13,16-17H2