ethyl (3R)-2-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3R)-2-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2CN1CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4O2/c1-2-30-24(29)23-11-20-5-3-4-6-21(20)15-27(23)16-22-13-26-17-28(22)14-19-9-7-18(12-25)8-10-19/h3-10,13,17,23H,2,11,14-16H2,1H3/t23-/m1/s1