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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]quinoline-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxo-3-azepanyl]-2-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]quinoline-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-piperonyl-quinaldamide Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H23N3O4/c28-23-20(7-3-4-12-25-23)27(14-16-8-11-21-22(13-16)31-15-30-21)24(29)19-10-9-17-5-1-2-6-18(17)26-19/h1-2,5-6,8-11,13,20H,3-4,7,12,14-15H2,(H,25,28)/t20-/m0/s1