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

Systemtic Name: 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]ethanamide Openeye Name: 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide CAS Name: 2-[4-(cyclopropylmethyl)-1-piperazinyl]-N-[4-(3-ethynylanilino)-6-quinazolinyl]acetamide IUPAC Name: 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide Traditional Name: 2-[4-(cyclopropylmethyl)piperazino]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide Formula: C26H28N6O MolecularWeight: 440.54012

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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)CC5CC5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CN4CCN(CC4)CC5CC5

InChI

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