1-[3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-yl-prop-2-en-1-one

Systemtic Name: 1-[3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-yl-prop-2-en-1-one Openeye Name: 1-[3-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-(3-thienyl)prop-2-en-1-one CAS Name: 1-[3-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-8-yl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: 1-[3-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one Traditional Name: 1-[3-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-(3-thienyl)prop-2-en-1-one Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCC3(C2)CCN(CC3)C(=O)C=CC4=CSC=C4)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCC3(C2)CCN(CC3)C(=O)C=CC4=CSC=C4)C

InChI

InChI=1S/C21H25N5O4S/c1-15-18(26(29)30)19(23(2)22-15)20(28)25-11-8-21(14-25)6-9-24(10-7-21)17(27)4-3-16-5-12-31-13-16/h3-5,12-13H,6-11,14H2,1-2H3