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4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one
4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=NC(=CC2=C(NNC2=O)C3=CN=CC=C3)C=C1CN(C)C
Isomeric SMILES
CC1=N/C(=C/C2=C(NNC2=O)C3=CN=CC=C3)/C=C1CN(C)C
InChI
InChI=1S/C17H19N5O/c1-11-13(10-22(2)3)7-14(19-11)8-15-16(20-21-17(15)23)12-5-4-6-18-9-12/h4-9H,10H2,1-3H3,(H2,20,21,23)/b14-8+
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