4-[3-[[2-(3H-benzimidazol-5-yloxy)-2-oxidanyl-ethyl]amino]butyl]-3-methyl-benzamide

Systemtic Name: 4-[3-[[2-(3H-benzimidazol-5-yloxy)-2-oxidanyl-ethyl]amino]butyl]-3-methyl-benzamide Openeye Name: 4-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxy-ethyl]amino]butyl]-3-methyl-benzamide CAS Name: 4-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxyethyl]amino]butyl]-3-methylbenzamide IUPAC Name: 4-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxyethyl]amino]butyl]-3-methylbenzamide Traditional Name: 4-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxy-ethyl]amino]butyl]-3-methyl-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)CCC(C)NCC(O)OC2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)CCC(C)NCC(O)OC2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C21H26N4O3/c1-13-9-16(21(22)27)6-5-15(13)4-3-14(2)23-11-20(26)28-17-7-8-18-19(10-17)25-12-24-18/h5-10,12,14,20,23,26H,3-4,11H2,1-2H3,(H2,22,27)(H,24,25)