2-(4-fluorophenyl)-10-(1-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-yl)-7,7-diphenyl-decan-3-one

Systemtic Name: 2-(4-fluorophenyl)-10-(1-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-yl)-7,7-diphenyl-decan-3-one Openeye Name: 2-(4-fluorophenyl)-10-(1-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-yl)-7,7-diphenyl-decan-3-one CAS Name: 2-(4-fluorophenyl)-10-(1-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-yl)-7,7-diphenyl-3-decanone IUPAC Name: 2-(4-fluorophenyl)-10-(1-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-yl)-7,7-diphenyldecan-3-one Traditional Name: 2-(4-fluorophenyl)-10-(1-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-yl)-7,7-diphenyl-decan-3-one Formula: C38H41FN2O3 MolecularWeight: 592.742143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)C(=O)CCCC(CCCC2(C3=C(CCN2)C=CC(=C3)[N+](=O)[O-])C)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=C(C=C1)F)C(=O)CCCC(CCCC2(C3=C(CCN2)C=CC(=C3)[N+](=O)[O-])C)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H41FN2O3/c1-28(29-16-19-33(39)20-17-29)36(42)15-9-24-38(31-11-5-3-6-12-31,32-13-7-4-8-14-32)25-10-23-37(2)35-27-34(41(43)44)21-18-30(35)22-26-40-37/h3-8,11-14,16-21,27-28,40H,9-10,15,22-26H2,1-2H3