N-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[4-[(4-chloropyrazol-1-yl)methyl]benzyl]-3,4,5-trimethoxy-benzamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(C=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=C(C=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-27-18-8-16(9-19(28-2)20(18)29-3)21(26)23-10-14-4-6-15(7-5-14)12-25-13-17(22)11-24-25/h4-9,11,13H,10,12H2,1-3H3,(H,23,26)