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

Systemtic Name: 3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]-1-pyrrolidin-2-yl-prop-2-yn-1-ol Openeye Name: 3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]-1-pyrrolidin-2-yl-prop-2-yn-1-ol CAS Name: 3-[4-[1H-indazol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]-1-(2-pyrrolidinyl)-2-propyn-1-ol IUPAC Name: 3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]-1-pyrrolidin-2-ylprop-2-yn-1-ol Traditional Name: 3-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]-1-pyrrolidin-2-yl-prop-2-yn-1-ol Formula: C29H26N6O MolecularWeight: 474.55634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

Isomeric SMILES

C1CC(NC1)C(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

InChI

InChI=1S/C29H26N6O/c36-28(27-7-4-14-30-27)13-9-20-8-11-26-24(15-20)29(32-19-31-26)35(18-21-5-2-1-3-6-21)23-10-12-25-22(16-23)17-33-34-25/h1-3,5-6,8,10-12,15-17,19,27-28,30,36H,4,7,14,18H2,(H,33,34)