3-(2-azanylquinazolin-6-yl)-4-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(2-azanylquinazolin-6-yl)-4-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide CAS Name: 3-(2-amino-6-quinazolinyl)-4-methyl-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzamide Formula: C27H24F3N5O MolecularWeight: 491.50757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C4=CC5=CN=C(N=C5C=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C4=CC5=CN=C(N=C5C=C4)N

InChI

InChI=1S/C27H24F3N5O/c1-16-4-5-18(13-21(16)17-6-8-22-19(12-17)15-32-26(31)34-22)25(36)33-23-14-20(27(28,29)30)7-9-24(23)35-10-2-3-11-35/h4-9,12-15H,2-3,10-11H2,1H3,(H,33,36)(H2,31,32,34)