2-[4-[(3-ethynylphenyl)amino]-7-propoxy-quinazolin-6-yl]propanamide

Systemtic Name: 2-[4-[(3-ethynylphenyl)amino]-7-propoxy-quinazolin-6-yl]propanamide Openeye Name: 2-[4-(3-ethynylanilino)-7-propoxy-quinazolin-6-yl]propanamide CAS Name: 2-[4-(3-ethynylanilino)-7-propoxy-6-quinazolinyl]propanamide IUPAC Name: 2-[4-(3-ethynylanilino)-7-propoxyquinazolin-6-yl]propanamide Traditional Name: 2-[4-(3-ethynylanilino)-7-propoxy-quinazolin-6-yl]propionamide Formula: C22H22N4O2 MolecularWeight: 374.43568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)C(C)C(=O)N

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)C(C)C(=O)N

InChI

InChI=1S/C22H22N4O2/c1-4-9-28-20-12-19-18(11-17(20)14(3)21(23)27)22(25-13-24-19)26-16-8-6-7-15(5-2)10-16/h2,6-8,10-14H,4,9H2,1,3H3,(H2,23,27)(H,24,25,26)