1-[3-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-3-cyclohexyl-urea

Systemtic Name: 1-[3-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-3-cyclohexyl-urea Openeye Name: 1-[3-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-3-cyclohexyl-urea CAS Name: 1-[3-[4-[3-chloro-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]-3-cyclohexylurea IUPAC Name: 1-[3-[4-(3-chloro-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]-3-cyclohexylurea Traditional Name: 1-[3-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-3-cyclohexyl-urea Formula: C29H27ClN6O2 MolecularWeight: 527.01668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CN=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)NCC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CN=CC=C5)Cl

InChI

InChI=1S/C29H27ClN6O2/c30-25-17-22(11-13-27(25)38-23-9-5-14-31-18-23)35-28-24-16-20(10-12-26(24)33-19-34-28)6-4-15-32-29(37)36-21-7-2-1-3-8-21/h5,9-14,16-19,21H,1-3,7-8,15H2,(H2,32,36,37)(H,33,34,35)