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

Systemtic Name: 1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]pyrrolidin-3-one Openeye Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidin-3-one CAS Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-3-pyrrolidinone IUPAC Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidin-3-one Traditional Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]-3-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#CCN4CCC(=O)C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCC(=O)C4)OC5=CC=CC=C5

InChI

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