N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CN1CCCN(CC1)CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

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