N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-piperonyl-pyrazole-3-carboxamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H18ClN3O4/c1-13-8-15(3-4-16(13)21)26-11-24-7-6-17(23-24)20(25)22-10-14-2-5-18-19(9-14)28-12-27-18/h2-9H,10-12H2,1H3,(H,22,25)