N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-pyrrolidin-1-yl-piperidine-1-carboxamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-pyrrolidin-1-yl-piperidine-1-carboxamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-pyrrolidin-1-yl-piperidine-1-carboxamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-4-(1-pyrrolidinyl)-1-piperidinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-pyrrolidino-piperidine-1-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N4CCC(CC4)N5CCCC5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N4CCC(CC4)N5CCCC5

InChI

InChI=1S/C26H28N6O/c1-2-19-6-5-7-20(16-19)29-25-23-17-21(8-9-24(23)27-18-28-25)30-26(33)32-14-10-22(11-15-32)31-12-3-4-13-31/h1,5-9,16-18,22H,3-4,10-15H2,(H,30,33)(H,27,28,29)