N-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-piperonylamide Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=NNC(=O)C2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4O3/c1-13-16(19(21)25(24-13)11-14-5-3-2-4-6-14)10-22-23-20(26)15-7-8-17-18(9-15)28-12-27-17/h2-10H,11-12H2,1H3,(H,23,26)