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

Systemtic Name: (E)-3-(6-phenyl-3-phenylazanyl-6-pyridin-2-yl-7H-indazol-1-yl)prop-2-enal Openeye Name: (E)-3-[3-anilino-6-phenyl-6-(2-pyridyl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-anilino-6-phenyl-6-(2-pyridinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-(3-anilino-6-phenyl-6-pyridin-2-yl-7H-indazol-1-yl)prop-2-enal Traditional Name: (E)-3-[3-anilino-6-phenyl-6-(2-pyridyl)-7H-indazol-1-yl]acrolein Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C3=CC=CC=C3)C4=CC=CC=N4)C(=NN2C=CC=O)NC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=CC1(C3=CC=CC=C3)C4=CC=CC=N4)C(=NN2/C=C/C=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O/c32-19-9-18-31-24-20-27(21-10-3-1-4-11-21,25-14-7-8-17-28-25)16-15-23(24)26(30-31)29-22-12-5-2-6-13-22/h1-19H,20H2,(H,29,30)/b18-9+