2-[(3-nitrophenyl)methylidene]-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]butan-1-one

Systemtic Name: 2-[(3-nitrophenyl)methylidene]-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]butan-1-one Openeye Name: 2-[(3-nitrophenyl)methylene]-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]butan-1-one CAS Name: 2-[(3-nitrophenyl)methylidene]-1-[8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decan-3-yl]-1-butanone IUPAC Name: 2-[(3-nitrophenyl)methylidene]-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]butan-1-one Traditional Name: 2-ethyl-3-(3-nitrophenyl)-1-[8-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decan-3-yl]prop-2-en-1-one Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4/c1-2-24(19-23-9-6-10-25(20-23)31(34)35)27(33)30-18-15-28(21-30)13-16-29(17-14-28)26(32)12-11-22-7-4-3-5-8-22/h3-10,19-20H,2,13-18,21H2,1H3