(E)-3-(6-phenyl-3-phenylazanyl-6-pyrimidin-4-yl-7H-indazol-1-yl)prop-2-enal

Systemtic Name: (E)-3-(6-phenyl-3-phenylazanyl-6-pyrimidin-4-yl-7H-indazol-1-yl)prop-2-enal Openeye Name: (E)-3-(3-anilino-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl)prop-2-enal CAS Name: (E)-3-[3-anilino-6-phenyl-6-(4-pyrimidinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-(3-anilino-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl)prop-2-enal Traditional Name: (E)-3-[3-anilino-6-phenyl-6-(4-pyrimidyl)-7H-indazol-1-yl]acrolein Formula: C26H21N5O MolecularWeight: 419.47784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C3=CC=CC=C3)C4=NC=NC=C4)C(=NN2C=CC=O)NC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=CC1(C3=CC=CC=C3)C4=NC=NC=C4)C(=NN2/C=C/C=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O/c32-17-7-16-31-23-18-26(20-8-3-1-4-9-20,24-13-15-27-19-28-24)14-12-22(23)25(30-31)29-21-10-5-2-6-11-21/h1-17,19H,18H2,(H,29,30)/b16-7+