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

Systemtic Name: 1-[3-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperidin-2-one Openeye Name: 1-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperidin-2-one CAS Name: 1-[3-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-2-piperidinone IUPAC Name: 1-[3-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperidin-2-one Traditional Name: 1-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]-2-piperidone Formula: C28H23ClN4O2 MolecularWeight: 482.96082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(C(=O)C1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H23ClN4O2/c29-24-18-21(12-14-26(24)35-22-8-2-1-3-9-22)32-28-23-17-20(11-13-25(23)30-19-31-28)7-6-16-33-15-5-4-10-27(33)34/h1-3,8-9,11-14,17-19H,4-5,10,15-16H2,(H,30,31,32)