N-[4-[[1-(phenylmethyl)-2H-benzo[e]indazol-5-yl]amino]quinazolin-6-yl]prop-2-ynamide

Systemtic Name: N-[4-[[1-(phenylmethyl)-2H-benzo[e]indazol-5-yl]amino]quinazolin-6-yl]prop-2-ynamide Openeye Name: N-[4-[(1-benzyl-2H-benzo[e]indazol-5-yl)amino]quinazolin-6-yl]prop-2-ynamide CAS Name: N-[4-[[1-(phenylmethyl)-2H-benzo[e]indazol-5-yl]amino]-6-quinazolinyl]-2-propynamide IUPAC Name: N-[4-[(1-benzyl-2H-benzo[e]indazol-5-yl)amino]quinazolin-6-yl]prop-2-ynamide Traditional Name: N-[4-[(1-benzyl-2H-benz[e]indazol-5-yl)amino]quinazolin-6-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)N=CN=C2NC3=CC4=NNC(=C4C5=CC=CC=C53)CC6=CC=CC=C6

Isomeric SMILES

C#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=NNC(=C4C5=CC=CC=C53)CC6=CC=CC=C6

InChI

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