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4-[(Z)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one
4-[(Z)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CC)CC1=C(C(=CC2=C(NNC2=O)C3=NC=CN=C3)N=C1C)C4CC4
Isomeric SMILES
CCN(CC)CC1=C(/C(=C/C2=C(NNC2=O)C3=NC=CN=C3)/N=C1C)C4CC4
InChI
InChI=1S/C21H26N6O/c1-4-27(5-2)12-16-13(3)24-17(19(16)14-6-7-14)10-15-20(25-26-21(15)28)18-11-22-8-9-23-18/h8-11,14H,4-7,12H2,1-3H3,(H2,25,26,28)/b17-10-
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