[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidino]-(2,3,4-trimethoxyphenyl)methanone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)OC)OC

InChI

InChI=1S/C22H25N3O4/c1-27-18-11-10-15(19(28-2)20(18)29-3)22(26)25-12-6-7-14(13-25)21-23-16-8-4-5-9-17(16)24-21/h4-5,8-11,14H,6-7,12-13H2,1-3H3,(H,23,24)/t14-/m1/s1