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

Systemtic Name: 4-(dimethylamino)-N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]piperidine-1-carboxamide Openeye Name: 4-(dimethylamino)-N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]piperidine-1-carboxamide CAS Name: 4-(dimethylamino)-N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-1-piperidinecarboxamide IUPAC Name: 4-(dimethylamino)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperidine-1-carboxamide Traditional Name: 4-(dimethylamino)-N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]piperidine-1-carboxamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CN(C)C1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

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