N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[4-[3-(3-pyridyl)propoxy]benzyl]-piperonylamide Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O5/c33-28-25(7-1-2-15-31-28)32(29(34)23-10-13-26-27(17-23)37-20-36-26)19-22-8-11-24(12-9-22)35-16-4-6-21-5-3-14-30-18-21/h3,5,8-14,17-18,25H,1-2,4,6-7,15-16,19-20H2,(H,31,33)/t25-/m0/s1