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

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6-phenyl-6-(4-pyrimidinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6-phenyl-6-pyrimidin-4-yl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6-phenyl-6-(4-pyrimidyl)-7H-indazol-1-yl]acrolein Formula: C24H23N5O MolecularWeight: 397.47232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=CC=CC=C4)C5=NC=NC=C5)C=CC=O

Isomeric SMILES

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=CC=CC=C4)C5=NC=NC=C5)/C=C/C=O

InChI

InChI=1S/C24H23N5O/c30-15-5-14-29-21-16-24(18-6-2-1-3-7-18,22-11-13-25-17-26-22)12-10-20(21)23(28-29)27-19-8-4-9-19/h1-3,5-7,10-15,17,19H,4,8-9,16H2,(H,27,28)/b14-5+