3-phenoxy-N-[5-(2-phenylazanylpyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide

Systemtic Name: 3-phenoxy-N-[5-(2-phenylazanylpyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide Openeye Name: N-[5-(2-anilinopyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide CAS Name: N-[5-(2-anilino-4-pyrimidinyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxybenzamide IUPAC Name: N-[5-(2-anilinopyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxybenzamide Traditional Name: N-[5-(2-anilinopyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide Formula: C28H23N7O2 MolecularWeight: 489.52792

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C3=NC(=NC=C3)NC4=CC=CC=C4)NN=C2NC(=O)C5=CC(=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

C1C2=C(CN1C3=NC(=NC=C3)NC4=CC=CC=C4)NN=C2NC(=O)C5=CC(=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H23N7O2/c36-27(19-8-7-13-22(16-19)37-21-11-5-2-6-12-21)32-26-23-17-35(18-24(23)33-34-26)25-14-15-29-28(31-25)30-20-9-3-1-4-10-20/h1-16H,17-18H2,(H,29,30,31)(H2,32,33,34,36)