N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c22-18-14-27(13-16-7-3-1-4-8-16)25-20(18)23-21(28)19-11-12-26(24-19)15-29-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H,23,25,28)