1-[3-(4-bromanyl-2-ethyl-5-methyl-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-(4-bromanyl-2-ethyl-5-methyl-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-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-(3-thienyl)prop-2-en-1-one CAS Name: 1-[3-[(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-8-yl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: 1-[3-(4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one Traditional Name: 1-[3-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-(3-thienyl)prop-2-en-1-one Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCC3(C2)CCN(CC3)C(=O)C=CC4=CSC=C4

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCC3(C2)CCN(CC3)C(=O)C=CC4=CSC=C4

InChI

InChI=1S/C22H27BrN4O2S/c1-3-27-20(19(23)16(2)24-27)21(29)26-12-9-22(15-26)7-10-25(11-8-22)18(28)5-4-17-6-13-30-14-17/h4-6,13-14H,3,7-12,15H2,1-2H3