N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-methyl-phenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-methyl-phenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methyl-phenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-N-piperonyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H19ClN4O3 MolecularWeight: 434.87496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5C=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5C=CC=C5)Cl

InChI

InChI=1S/C23H19ClN4O3/c1-15-4-6-17(11-19(15)24)28-23(27-8-2-3-9-27)18(13-26-28)22(29)25-12-16-5-7-20-21(10-16)31-14-30-20/h2-11,13H,12,14H2,1H3,(H,25,29)