3-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol

Systemtic Name: 3-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Openeye Name: 3-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol CAS Name: 3-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]ethynyl]-3-pyrrolidinol IUPAC Name: 3-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Traditional Name: 3-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Formula: C29H25N5O MolecularWeight: 459.5417

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NC=C6)O

Isomeric SMILES

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NC=C6)O

InChI

InChI=1S/C29H25N5O/c35-29(13-15-30-19-29)12-10-21-6-8-27-25(16-21)28(33-20-32-27)34(18-22-4-2-1-3-5-22)24-7-9-26-23(17-24)11-14-31-26/h1-9,11,14,16-17,20,30-31,35H,13,15,18-19H2