N-[(1R)-1-(6-chloranyl-1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]-4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-benzamide

Systemtic Name: N-[(1R)-1-(6-chloranyl-1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]-4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-benzamide Openeye Name: N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-benzamide CAS Name: N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyethyl]-4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylbenzamide IUPAC Name: N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyethyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzamide Traditional Name: N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-3-methyl-4-(3-pyrroline-1-carbonyl)benzamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CO)C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)N4CC=CC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](CO)C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)N4CC=CC4

InChI

InChI=1S/C22H21ClN4O3/c1-13-10-14(4-6-16(13)22(30)27-8-2-3-9-27)21(29)26-19(12-28)20-24-17-7-5-15(23)11-18(17)25-20/h2-7,10-11,19,28H,8-9,12H2,1H3,(H,24,25)(H,26,29)/t19-/m0/s1