7-acetamido-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide

Systemtic Name: 7-acetamido-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide Openeye Name: 7-acetamido-N-[[(1S)-isochroman-1-yl]methyl]-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carboxamide CAS Name: 7-acetamido-N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 7-acetamido-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide Traditional Name: 7-acetamido-N-[[(1S)-isochroman-1-yl]methyl]-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carboxamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=N3)C(=O)NCC4C5=CC=CC=C5CCO4

Isomeric SMILES

CC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=N3)C(=O)NC[C@@H]4C5=CC=CC=C5CCO4

InChI

InChI=1S/C27H27N5O3/c1-18(33)31-24-15-20(27(34)29-16-25-22-8-3-2-6-19(22)10-13-35-25)14-23-26(24)32(17-30-23)12-9-21-7-4-5-11-28-21/h2-8,11,14-15,17,25H,9-10,12-13,16H2,1H3,(H,29,34)(H,31,33)/t25-/m1/s1