N-[2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]methyl]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]-2-bromanyl-5-methoxy-benzamide

Systemtic Name: N-[2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]methyl]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]-2-bromanyl-5-methoxy-benzamide Openeye Name: N-[2-[[4-[(2-amino-2-oxo-ethyl)-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]methyl]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-2-bromo-5-methoxy-benzamide CAS Name: N-[2-[[4-[[(2-amino-2-oxoethyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]-oxomethyl]phenyl]methyl]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-2-bromo-5-methoxybenzamide IUPAC Name: N-[2-[[4-[(2-amino-2-oxoethyl)-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]methyl]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-2-bromo-5-methoxybenzamide Traditional Name: N-[2-[4-[(2-amino-2-keto-ethyl)-[3-(trifluoromethyl)benzyl]carbamoyl]benzyl]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-keto-3,4-dihydroisoquinolin-7-yl]-2-bromo-5-methoxy-benzamide Formula: C46H45BrF3N5O6 MolecularWeight: 900.77861

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)C2CC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)OC)Br)C(=O)N2CC5=CC=C(C=C5)C(=O)N(CC6=CC(=CC=C6)C(F)(F)F)CC(=O)N

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)C2CC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)OC)Br)C(=O)N2CC5=CC=C(C=C5)C(=O)N(CC6=CC(=CC=C6)C(F)(F)F)CC(=O)N

InChI

InChI=1S/C46H45BrF3N5O6/c1-53(2)20-5-21-61-36-16-13-31(14-17-36)41-23-33-12-15-35(52-43(57)39-25-37(60-3)18-19-40(39)47)24-38(33)45(59)55(41)27-29-8-10-32(11-9-29)44(58)54(28-42(51)56)26-30-6-4-7-34(22-30)46(48,49)50/h4,6-19,22,24-25,41H,5,20-21,23,26-28H2,1-3H3,(H2,51,56)(H,52,57)