(1S,6R)-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(1-methyl-5-phenyl-imidazol-2-yl)cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S,6R)-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(1-methyl-5-phenyl-imidazol-2-yl)cyclohex-3-ene-1-carboxamide Openeye Name: (1S,6R)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-methyl-5-phenyl-imidazol-2-yl)cyclohex-3-ene-1-carboxamide CAS Name: (1S,6R)-6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(1-methyl-5-phenyl-2-imidazolyl)-1-cyclohex-3-enecarboxamide IUPAC Name: (1S,6R)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-methyl-5-phenylimidazol-2-yl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S,6R)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-methyl-5-phenyl-imidazol-2-yl)cyclohex-3-ene-1-carboxamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NC(=O)C2CC=CCC2C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CN=C1NC(=O)[C@H]2CC=CC[C@H]2C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-30-24(20-10-3-2-4-11-20)17-28-27(30)29-25(32)22-13-7-8-14-23(22)26(33)31-16-15-19-9-5-6-12-21(19)18-31/h2-12,17,22-23H,13-16,18H2,1H3,(H,28,29,32)/t22-,23+/m0/s1