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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]acetamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-2-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]acetamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(4-methylpiperazino)piperidino]acetamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)N=CN=C4NC5=CC=CC(=C5)C#C

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)N=CN=C4NC5=CC=CC(=C5)C#C

InChI

InChI=1S/C28H33N7O/c1-3-21-5-4-6-22(17-21)32-28-25-18-23(7-8-26(25)29-20-30-28)31-27(36)19-34-11-9-24(10-12-34)35-15-13-33(2)14-16-35/h1,4-8,17-18,20,24H,9-16,19H2,2H3,(H,31,36)(H,29,30,32)