1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one CAS Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]-2-pyrrolidone Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCCC4=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCCC4=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2/c1-20-17-22(12-14-26(20)34-23-8-3-2-4-9-23)31-28-24-18-21(11-13-25(24)29-19-30-28)7-5-15-32-16-6-10-27(32)33/h2-4,8-9,11-14,17-19H,6,10,15-16H2,1H3,(H,29,30,31)