3-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]carbonylamino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

Systemtic Name: 3-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]carbonylamino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide Openeye Name: 3-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carbonyl]amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide CAS Name: 3-[[[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-oxomethyl]amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide IUPAC Name: 3-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carbonyl]amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide Traditional Name: 3-[[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-nicotinoyl]amino]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide Formula: C21H29N7O5S MolecularWeight: 491.56386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)NC3=C4CCCN4N=C3C(=O)N)OCC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C(=O)NC3=C4CCCN4N=C3C(=O)N)OCC

InChI

InChI=1S/C21H29N7O5S/c1-3-26-8-10-27(11-9-26)34(31,32)14-12-15(21(23-13-14)33-4-2)20(30)24-17-16-6-5-7-28(16)25-18(17)19(22)29/h12-13H,3-11H2,1-2H3,(H2,22,29)(H,24,30)