2-(4-cyclopropylcarbonylpiperazin-1-yl)-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-yl)-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-N-[4-(3-ethynylanilino)-6-quinazolinyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazino]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CN4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CN4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C26H26N6O2/c1-2-18-4-3-5-20(14-18)30-25-22-15-21(8-9-23(22)27-17-28-25)29-24(33)16-31-10-12-32(13-11-31)26(34)19-6-7-19/h1,3-5,8-9,14-15,17,19H,6-7,10-13,16H2,(H,29,33)(H,27,28,30)