N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C22H22N6O/c1-3-16-5-4-6-17(13-16)25-21-19-14-18(7-8-20(19)23-15-24-21)26-22(29)28-11-9-27(2)10-12-28/h1,4-8,13-15H,9-12H2,2H3,(H,26,29)(H,23,24,25)