N-[7-ethoxy-4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-ethyl-piperazine-1-carboxamide

Systemtic Name: N-[7-ethoxy-4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-4-ethyl-piperazine-1-carboxamide Openeye Name: N-[7-ethoxy-4-(3-ethynylanilino)quinazolin-6-yl]-4-ethyl-piperazine-1-carboxamide CAS Name: N-[7-ethoxy-4-(3-ethynylanilino)-6-quinazolinyl]-4-ethyl-1-piperazinecarboxamide IUPAC Name: N-[7-ethoxy-4-(3-ethynylanilino)quinazolin-6-yl]-4-ethylpiperazine-1-carboxamide Traditional Name: N-[7-ethoxy-4-(3-ethynylanilino)quinazolin-6-yl]-4-ethyl-piperazine-1-carboxamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OCC

InChI

InChI=1S/C25H28N6O2/c1-4-18-8-7-9-19(14-18)28-24-20-15-22(23(33-6-3)16-21(20)26-17-27-24)29-25(32)31-12-10-30(5-2)11-13-31/h1,7-9,14-17H,5-6,10-13H2,2-3H3,(H,29,32)(H,26,27,28)