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

Systemtic Name: (E)-3-(6-phenyl-3-phenylazanyl-6-pyridin-3-yl-7H-indazol-1-yl)prop-2-enal Openeye Name: (E)-3-[3-anilino-6-phenyl-6-(3-pyridyl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-anilino-6-phenyl-6-(3-pyridinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-(3-anilino-6-phenyl-6-pyridin-3-yl-7H-indazol-1-yl)prop-2-enal Traditional Name: (E)-3-[3-anilino-6-phenyl-6-(3-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=CN=CC=C4)C(=NN2C=CC=O)NC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O/c32-18-8-17-31-25-19-27(21-9-3-1-4-10-21,22-11-7-16-28-20-22)15-14-24(25)26(30-31)29-23-12-5-2-6-13-23/h1-18,20H,19H2,(H,29,30)/b17-8+