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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O2/c1-29-16-9-5-8-15(10-16)18-11-19(25-24-18)21(28)23-20-17(22)13-27(26-20)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,24,25)(H,23,26,28)