methyl N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]carbamate

Systemtic Name: methyl N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]carbamate Openeye Name: methyl N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]carbamate CAS Name: N-[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]carbamate Traditional Name: N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]carbamic acid methyl ester Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC(=O)OC)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC(=O)OC)OC4=CN=CC=C4

InChI

InChI=1S/C25H21N5O3/c1-17-13-19(8-10-23(17)33-20-6-4-11-26-15-20)30-24-21-14-18(5-3-12-27-25(31)32-2)7-9-22(21)28-16-29-24/h4,6-11,13-16H,12H2,1-2H3,(H,27,31)(H,28,29,30)