[3-(1,3-benzodioxol-5-ylmethyl)-1,2-oxazol-5-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethyl)-1,2-oxazol-5-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [3-(1,3-benzodioxol-5-ylmethyl)isoxazol-5-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [3-(1,3-benzodioxol-5-ylmethyl)-5-isoxazolyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [3-(1,3-benzodioxol-5-ylmethyl)-1,2-oxazol-5-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [(4S)-4-phenylazepan-1-yl]-(3-piperonylisoxazol-5-yl)methanone Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CC(=NO2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=CC(=NO2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2O4/c27-24(26-11-4-7-19(10-12-26)18-5-2-1-3-6-18)23-15-20(25-30-23)13-17-8-9-21-22(14-17)29-16-28-21/h1-3,5-6,8-9,14-15,19H,4,7,10-13,16H2/t19-/m0/s1