N-[3-chloranyl-4-[(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-7-yl)carbonyl]phenyl]-2-(trifluoromethyloxy)benzamide

Systemtic Name: N-[3-chloranyl-4-[(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-7-yl)carbonyl]phenyl]-2-(trifluoromethyloxy)benzamide Openeye Name: N-[3-chloro-4-(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepine-7-carbonyl)phenyl]-2-(trifluoromethoxy)benzamide CAS Name: N-[3-chloro-4-[(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-7-yl)-oxomethyl]phenyl]-2-(trifluoromethoxy)benzamide IUPAC Name: N-[3-chloro-4-(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepine-7-carbonyl)phenyl]-2-(trifluoromethoxy)benzamide Traditional Name: N-[3-chloro-4-(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepine-7-carbonyl)phenyl]-2-(trifluoromethoxy)benzamide Formula: C28H20ClF3N4O3 MolecularWeight: 552.93161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2CCN(C3=CC=CC=C3C2=N1)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5OC(F)(F)F)Cl

Isomeric SMILES

CC1=NC=C2CCN(C3=CC=CC=C3C2=N1)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5OC(F)(F)F)Cl

InChI

InChI=1S/C28H20ClF3N4O3/c1-16-33-15-17-12-13-36(23-8-4-2-6-20(23)25(17)34-16)27(38)19-11-10-18(14-22(19)29)35-26(37)21-7-3-5-9-24(21)39-28(30,31)32/h2-11,14-15H,12-13H2,1H3,(H,35,37)