3-(1,3-benzodioxol-5-yl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-4-chloro-pyrazol-3-yl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-4-chloropyrazol-3-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-4-chloro-pyrazol-3-yl)-1H-pyrazole-5-carboxamide Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5

InChI

InChI=1S/C21H16ClN5O3/c22-15-11-27(10-13-4-2-1-3-5-13)26-20(15)23-21(28)17-9-16(24-25-17)14-6-7-18-19(8-14)30-12-29-18/h1-9,11H,10,12H2,(H,24,25)(H,23,26,28)