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

Systemtic Name: (E)-3-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-6-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-6-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-(phenylmethyl)-5-benzo[e]indazolyl]amino]-6-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-6-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2-benzylbenz[e]indazol-5-yl)amino]quinazolin-6-yl]acrylic acid Formula: C29H21N5O2 MolecularWeight: 471.50934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4C(=CC3=N2)NC5=NC=NC6=C5C=C(C=C6)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4C(=CC3=N2)NC5=NC=NC6=C5C=C(C=C6)/C=C/C(=O)O

InChI

InChI=1S/C29H21N5O2/c35-28(36)13-11-19-10-12-25-23(14-19)29(31-18-30-25)32-26-15-27-24(21-8-4-5-9-22(21)26)17-34(33-27)16-20-6-2-1-3-7-20/h1-15,17-18H,16H2,(H,35,36)(H,30,31,32)/b13-11+