1-[3-(4-methoxy-5-nitro-thiophen-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-8-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[3-(4-methoxy-5-nitro-thiophen-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-8-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[3-(4-methoxy-5-nitro-thiophene-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[3-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-8-yl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[3-(4-methoxy-5-nitrothiophene-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[3-(4-methoxy-5-nitro-thiophene-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-phenyl-prop-2-yn-1-one Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5S/c1-31-20-18(15-32-22(20)26(29)30)21(28)25-14-11-23(16-25)9-12-24(13-10-23)19(27)8-7-17-5-3-2-4-6-17/h2-6,15H,9-14,16H2,1H3