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

Systemtic Name: N-[1-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-[(5-chloro-2-isobutoxy-phenyl)methyl]-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide CAS Name: N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methyl-3-pyrazolyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-(5-chloro-2-isobutoxy-benzyl)-5-methyl-pyrazol-3-yl]isoquinoline-3-carboxamide Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC(C)C)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC(C)C)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H25ClN4O2/c1-16(2)15-32-23-9-8-21(26)11-20(23)14-30-17(3)10-24(29-30)28-25(31)22-12-18-6-4-5-7-19(18)13-27-22/h4-13,16H,14-15H2,1-3H3,(H,28,29,31)