N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]cycloheptanecarboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]cycloheptanecarboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]cycloheptanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxo-3-azepanyl]cycloheptanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]cycloheptanecarboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-piperonyl-cycloheptanecarboxamide Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCCCNC4=O

Isomeric SMILES

C1CCCC(CC1)C(=O)N(CC2=CC3=C(C=C2)OCO3)[C@H]4CCCCNC4=O

InChI

InChI=1S/C22H30N2O4/c25-21-18(9-5-6-12-23-21)24(22(26)17-7-3-1-2-4-8-17)14-16-10-11-19-20(13-16)28-15-27-19/h10-11,13,17-18H,1-9,12,14-15H2,(H,23,25)/t18-/m0/s1