N-(1,3-benzodioxol-4-ylmethyl)-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CN(CCCC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CN(CCCC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C25H23N3O3/c29-25(19-11-12-21-22(14-19)27-16-26-21)28(13-5-8-18-6-2-1-3-7-18)15-20-9-4-10-23-24(20)31-17-30-23/h1-4,6-7,9-12,14,16H,5,8,13,15,17H2,(H,26,27)