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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-4-methyl-piperazine-1-carboxamide Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

InChI=1S/C23H24N6O2/c1-4-16-6-5-7-17(12-16)26-22-18-13-20(21(31-3)14-19(18)24-15-25-22)27-23(30)29-10-8-28(2)9-11-29/h1,5-7,12-15H,8-11H2,2-3H3,(H,27,30)(H,24,25,26)