N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]-piperonylamide Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O5/c1-16(2)31-19-9-6-17(7-10-19)14-26(20-5-3-4-12-25-23(20)27)24(28)18-8-11-21-22(13-18)30-15-29-21/h6-11,13,16,20H,3-5,12,14-15H2,1-2H3,(H,25,27)/t20-/m0/s1