N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloranyl-3,4-dimethoxy-benzamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloranyl-3,4-dimethoxy-benzamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloro-3,4-dimethoxy-benzamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-chloro-3,4-dimethoxybenzamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloro-3,4-dimethoxybenzamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloro-3,4-dimethoxy-benzamide Formula: C19H17ClN6O3 MolecularWeight: 412.82968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)Cl)OC

InChI

InChI=1S/C19H17ClN6O3/c1-28-16-8-7-13(17(20)18(16)29-2)19(27)22-12-9-21-25(10-12)11-26-15-6-4-3-5-14(15)23-24-26/h3-10H,11H2,1-2H3,(H,22,27)