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

Systemtic Name: 1-(2-adamantyl)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(2-adamantyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-5-one CAS Name: 1-(2-adamantyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-adamantyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(2-adamantyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-5-one Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC3=C(C=C2Cl)OCO3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC3=C(C=C2Cl)OCO3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C23H29ClN2O3/c24-19-11-21-20(28-13-29-21)10-18(19)12-26-4-3-25(2-1-22(26)27)23-16-6-14-5-15(8-16)9-17(23)7-14/h10-11,14-17,23H,1-9,12-13H2