N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H25N3O2/c1-18-23(19(2)30(29-18)17-20-10-4-3-5-11-20)16-28-27(31)26-21-12-6-8-14-24(21)32-25-15-9-7-13-22(25)26/h3-15,26H,16-17H2,1-2H3,(H,28,31)