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

Systemtic Name: (E)-3-[3-(cyclopropylamino)-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclopropylamino)-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclopropylamino)-6-phenyl-6-(4-pyrimidinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclopropylamino)-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclopropylamino)-6-phenyl-6-(4-pyrimidyl)-7H-indazol-1-yl]acrolein Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN(C3=C2C=CC(C3)(C4=CC=CC=C4)C5=NC=NC=C5)C=CC=O

Isomeric SMILES

C1CC1NC2=NN(C3=C2C=CC(C3)(C4=CC=CC=C4)C5=NC=NC=C5)/C=C/C=O

InChI

InChI=1S/C23H21N5O/c29-14-4-13-28-20-15-23(17-5-2-1-3-6-17,21-10-12-24-16-25-21)11-9-19(20)22(27-28)26-18-7-8-18/h1-6,9-14,16,18H,7-8,15H2,(H,26,27)/b13-4+