1-(3-azanyl-2-oxidanyl-propoxy)-3-[1-(1,3-benzodioxol-5-yl)-2-phenyl-ethyl]benzimidazol-2-one

Systemtic Name: 1-(3-azanyl-2-oxidanyl-propoxy)-3-[1-(1,3-benzodioxol-5-yl)-2-phenyl-ethyl]benzimidazol-2-one Openeye Name: 1-(3-amino-2-hydroxy-propoxy)-3-[1-(1,3-benzodioxol-5-yl)-2-phenyl-ethyl]benzimidazol-2-one CAS Name: 1-(3-amino-2-hydroxypropoxy)-3-[1-(1,3-benzodioxol-5-yl)-2-phenylethyl]-2-benzimidazolone IUPAC Name: 1-(3-amino-2-hydroxypropoxy)-3-[1-(1,3-benzodioxol-5-yl)-2-phenylethyl]benzimidazol-2-one Traditional Name: 1-(3-amino-2-hydroxy-propoxy)-3-[1-(1,3-benzodioxol-5-yl)-2-phenyl-ethyl]benzimidazol-2-one Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)N4C5=CC=CC=C5N(C4=O)OCC(CN)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)N4C5=CC=CC=C5N(C4=O)OCC(CN)O

InChI

InChI=1S/C25H25N3O5/c26-14-19(29)15-33-28-21-9-5-4-8-20(21)27(25(28)30)22(12-17-6-2-1-3-7-17)18-10-11-23-24(13-18)32-16-31-23/h1-11,13,19,22,29H,12,14-16,26H2