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

Systemtic Name: 1-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[4-[1H-indol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[4-[benzyl(1H-indol-5-yl)amino]quinazolin-6-yl]ethynyl]cyclohexanol Formula: C31H28N4O MolecularWeight: 472.58022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NC=C6)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NC=C6)O

InChI

InChI=1S/C31H28N4O/c36-31(15-5-2-6-16-31)17-13-23-9-11-29-27(19-23)30(34-22-33-29)35(21-24-7-3-1-4-8-24)26-10-12-28-25(20-26)14-18-32-28/h1,3-4,7-12,14,18-20,22,32,36H,2,5-6,15-16,21H2