(E)-3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]prop-2-en-1-ol

Systemtic Name: (E)-3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]prop-2-en-1-ol Openeye Name: (E)-3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]prop-2-en-1-ol CAS Name: (E)-3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]-2-propen-1-ol IUPAC Name: (E)-3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]prop-2-en-1-ol Traditional Name: (E)-3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]prop-2-en-1-ol Formula: C25H21N5O MolecularWeight: 407.46714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC3=C(C=C2)NN=C3)C4=NC=NC5=C4C=C(C=C5)C=CCO

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC3=C(C=C2)NN=C3)C4=NC=NC5=C4C=C(C=C5)/C=C/CO

InChI

InChI=1S/C25H21N5O/c31-12-4-7-18-8-10-24-22(13-18)25(27-17-26-24)30(16-19-5-2-1-3-6-19)21-9-11-23-20(14-21)15-28-29-23/h1-11,13-15,17,31H,12,16H2,(H,28,29)/b7-4+