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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-(4-heptan-4-ylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(1-propylbutyl)piperazin-1-yl]acetamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-2-(4-heptan-4-yl-1-piperazinyl)acetamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(4-heptan-4-ylpiperazin-1-yl)acetamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(1-propylbutyl)piperazino]acetamide Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CCCC(CCC)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C29H36N6O/c1-4-8-25(9-5-2)35-16-14-34(15-17-35)20-28(36)32-24-12-13-27-26(19-24)29(31-21-30-27)33-23-11-7-10-22(6-3)18-23/h3,7,10-13,18-19,21,25H,4-5,8-9,14-17,20H2,1-2H3,(H,32,36)(H,30,31,33)