N-[1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-[(2-benzyloxy-5-chloro-phenyl)methyl]-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide CAS Name: N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-3-pyrazolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-(2-benzoxy-5-chloro-benzyl)-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide Formula: C28H23ClN4O2 MolecularWeight: 482.96082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H23ClN4O2/c1-19-13-27(31-28(34)25-15-21-9-5-6-10-22(21)16-30-25)32-33(19)17-23-14-24(29)11-12-26(23)35-18-20-7-3-2-4-8-20/h2-16H,17-18H2,1H3,(H,31,32,34)