N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-(2-pyrimidylamino)benzamide Formula: C28H24N6O MolecularWeight: 460.52976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)NC5=NC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)NC5=NC=CC=N5

InChI

InChI=1S/C28H24N6O/c35-27(23-13-7-14-25(17-23)32-28-29-15-8-16-30-28)31-18-24-20-34(19-21-9-3-1-4-10-21)33-26(24)22-11-5-2-6-12-22/h1-17,20H,18-19H2,(H,31,35)(H,29,30,32)