N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(4-isopropylpiperazin-1-yl)-2-methyl-propanamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-2-methyl-2-(4-propan-2-yl-1-piperazinyl)propanamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(4-isopropylpiperazino)-2-methyl-propionamide Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O/c1-6-20-8-7-9-21(16-20)30-25-23-17-22(10-11-24(23)28-18-29-25)31-26(34)27(4,5)33-14-12-32(13-15-33)19(2)3/h1,7-11,16-19H,12-15H2,2-5H3,(H,31,34)(H,28,29,30)