N-(2-azanyl-2-oxidanylidene-ethyl)-N-(2-dimethylaminoethyl)-4-[[1-oxidanylidene-3-pyridin-2-yl-7-[[4-(trifluoromethyloxy)phenyl]carbonylamino]-3,4-dihydroisoquinolin-2-yl]methyl]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-N-(2-dimethylaminoethyl)-4-[[1-oxidanylidene-3-pyridin-2-yl-7-[[4-(trifluoromethyloxy)phenyl]carbonylamino]-3,4-dihydroisoquinolin-2-yl]methyl]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-N-(2-dimethylaminoethyl)-4-[[1-oxo-3-(2-pyridyl)-7-[[4-(trifluoromethoxy)benzoyl]amino]-3,4-dihydroisoquinolin-2-yl]methyl]benzamide CAS Name: N-(2-amino-2-oxoethyl)-N-(2-dimethylaminoethyl)-4-[[1-oxo-7-[[oxo-[4-(trifluoromethoxy)phenyl]methyl]amino]-3-(2-pyridinyl)-3,4-dihydroisoquinolin-2-yl]methyl]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-N-(2-dimethylaminoethyl)-4-[[1-oxo-3-pyridin-2-yl-7-[[4-(trifluoromethoxy)benzoyl]amino]-3,4-dihydroisoquinolin-2-yl]methyl]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-N-(2-dimethylaminoethyl)-4-[[1-keto-3-(2-pyridyl)-7-[[4-(trifluoromethoxy)benzoyl]amino]-3,4-dihydroisoquinolin-2-yl]methyl]benzamide Formula: C36H35F3N6O5 MolecularWeight: 688.69551

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC(=O)N)C(=O)C1=CC=C(C=C1)CN2C(CC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=N5

Isomeric SMILES

CN(C)CCN(CC(=O)N)C(=O)C1=CC=C(C=C1)CN2C(CC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=N5

InChI

InChI=1S/C36H35F3N6O5/c1-43(2)17-18-44(22-32(40)46)34(48)25-8-6-23(7-9-25)21-45-31(30-5-3-4-16-41-30)19-26-10-13-27(20-29(26)35(45)49)42-33(47)24-11-14-28(15-12-24)50-36(37,38)39/h3-16,20,31H,17-19,21-22H2,1-2H3,(H2,40,46)(H,42,47)