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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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