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

Systemtic Name: 1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperidin-4-one Openeye Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperidin-4-one CAS Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-4-piperidinone IUPAC Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperidin-4-one Traditional Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]-4-piperidone Formula: C29H26N4O2 MolecularWeight: 462.54234

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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)CC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCC(=O)CC4)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2/c1-21-18-23(10-12-28(21)35-25-7-3-2-4-8-25)32-29-26-19-22(9-11-27(26)30-20-31-29)6-5-15-33-16-13-24(34)14-17-33/h2-4,7-12,18-20H,13-17H2,1H3,(H,30,31,32)