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

Systemtic Name: 3-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C30H27N5O MolecularWeight: 473.56828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NC=C6)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NC=C6)O

InChI

InChI=1S/C30H27N5O/c36-30(13-4-15-31-20-30)14-11-22-7-9-28-26(17-22)29(34-21-33-28)35(19-23-5-2-1-3-6-23)25-8-10-27-24(18-25)12-16-32-27/h1-3,5-10,12,16-18,21,31-32,36H,4,13,15,19-20H2