[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloro-4-isopropoxy-5-methoxy-phenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(3-chloro-4-isopropoxy-5-methoxy-phenyl)methanone Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H24ClN3O3/c1-13(2)29-20-15(23)11-14(12-19(20)28-3)22(27)26-10-6-9-18(26)21-24-16-7-4-5-8-17(16)25-21/h4-5,7-8,11-13,18H,6,9-10H2,1-3H3,(H,24,25)/t18-/m0/s1