N-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-7-yl]prop-2-ynamide

Systemtic Name: N-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]quinazolin-7-yl]prop-2-ynamide Openeye Name: N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-7-yl]prop-2-ynamide CAS Name: N-[4-[[2-(phenylmethyl)-5-benzo[e]indazolyl]amino]-7-quinazolinyl]-2-propynamide IUPAC Name: N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]quinazolin-7-yl]prop-2-ynamide Traditional Name: N-[4-[(2-benzylbenz[e]indazol-5-yl)amino]quinazolin-7-yl]propiolamide Formula: C29H20N6O MolecularWeight: 468.5087

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC4=NN(C=C4C5=CC=CC=C53)CC6=CC=CC=C6

Isomeric SMILES

C#CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC4=NN(C=C4C5=CC=CC=C53)CC6=CC=CC=C6

InChI

InChI=1S/C29H20N6O/c1-2-28(36)32-20-12-13-23-25(14-20)30-18-31-29(23)33-26-15-27-24(21-10-6-7-11-22(21)26)17-35(34-27)16-19-8-4-3-5-9-19/h1,3-15,17-18H,16H2,(H,32,36)(H,30,31,33)