(E)-3-[3-phenylazanyl-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal

Systemtic Name: (E)-3-[3-phenylazanyl-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-anilino-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-anilino-6,6-bis(4-pyrimidinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-anilino-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-anilino-6,6-bis(4-pyrimidyl)-7H-indazol-1-yl]acrolein Formula: C24H19N7O MolecularWeight: 421.45396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N7O/c32-14-4-13-31-20-15-24(21-8-11-25-16-27-21,22-9-12-26-17-28-22)10-7-19(20)23(30-31)29-18-5-2-1-3-6-18/h1-14,16-17H,15H2,(H,29,30)/b13-4+