N-[1-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-7-cyano-quinazolin-2-yl]piperidin-4-yl]-N-methyl-1-propyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-7-cyano-quinazolin-2-yl]piperidin-4-yl]-N-methyl-1-propyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-[4-(4-chloro-2-fluoro-anilino)-7-cyano-quinazolin-2-yl]-4-piperidyl]-N-methyl-1-propyl-pyrrolidine-2-carboxamide CAS Name: N-[1-[4-(4-chloro-2-fluoroanilino)-7-cyano-2-quinazolinyl]-4-piperidinyl]-N-methyl-1-propyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[4-(4-chloro-2-fluoroanilino)-7-cyanoquinazolin-2-yl]piperidin-4-yl]-N-methyl-1-propylpyrrolidine-2-carboxamide Traditional Name: N-[1-[4-(4-chloro-2-fluoro-anilino)-7-cyano-quinazolin-2-yl]-4-piperidyl]-N-methyl-1-propyl-pyrrolidine-2-carboxamide Formula: C29H33ClFN7O MolecularWeight: 550.070023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC1C(=O)N(C)C2CCN(CC2)C3=NC4=C(C=CC(=C4)C#N)C(=N3)NC5=C(C=C(C=C5)Cl)F

Isomeric SMILES

CCCN1CCCC1C(=O)N(C)C2CCN(CC2)C3=NC4=C(C=CC(=C4)C#N)C(=N3)NC5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C29H33ClFN7O/c1-3-12-37-13-4-5-26(37)28(39)36(2)21-10-14-38(15-11-21)29-34-25-16-19(18-32)6-8-22(25)27(35-29)33-24-9-7-20(30)17-23(24)31/h6-9,16-17,21,26H,3-5,10-15H2,1-2H3,(H,33,34,35)