1-[3-[4-[(6,7-diethanoyl-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]pyridin-4-yl]ethanone

Systemtic Name: 1-[3-[4-[(6,7-diethanoyl-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]pyridin-4-yl]ethanone Openeye Name: 1-[3-[4-[(6,7-diacetyl-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-4-pyridyl]ethanone CAS Name: 1-[3-[4-[(6,7-diacetyl-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-4-pyridinyl]ethanone IUPAC Name: 1-[3-[4-[(6,7-diacetyl-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]pyridin-4-yl]ethanone Traditional Name: 1-[3-[4-[(6,7-diacetyl-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-4-pyridyl]ethanone Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=NC=C1)C2=CC=C(C=C2)CC3C4=C(CCN3C)C=C(C(=C4)C(=O)C)C(=O)C

Isomeric SMILES

CC(=O)C1=C(C=NC=C1)C2=CC=C(C=C2)CC3C4=C(CCN3C)C=C(C(=C4)C(=O)C)C(=O)C

InChI

InChI=1S/C28H28N2O3/c1-17(31)23-9-11-29-16-27(23)21-7-5-20(6-8-21)13-28-26-15-25(19(3)33)24(18(2)32)14-22(26)10-12-30(28)4/h5-9,11,14-16,28H,10,12-13H2,1-4H3