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

Systemtic Name: (E)-3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]acrylic acid Formula: C25H19N5O2 MolecularWeight: 421.45066

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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=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H19N5O2/c31-24(32)11-7-17-6-9-23-21(12-17)25(27-16-26-23)30(15-18-4-2-1-3-5-18)20-8-10-22-19(13-20)14-28-29-22/h1-14,16H,15H2,(H,28,29)(H,31,32)/b11-7+