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

Systemtic Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]ethanamide Openeye Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide CAS Name: 2-[4-(2-dimethylaminoethyl)-1-piperazinyl]-N-[4-(3-ethynylanilino)-6-quinazolinyl]acetamide IUPAC Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide Traditional Name: 2-[4-(2-dimethylaminoethyl)piperazino]-N-[4-(3-ethynylanilino)quinazolin-6-yl]acetamide Formula: C26H31N7O MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CN(C)CCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C26H31N7O/c1-4-20-6-5-7-21(16-20)30-26-23-17-22(8-9-24(23)27-19-28-26)29-25(34)18-33-14-12-32(13-15-33)11-10-31(2)3/h1,5-9,16-17,19H,10-15,18H2,2-3H3,(H,29,34)(H,27,28,30)