4-[[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]amino]-3-(oxan-2-ylmethoxy)benzamide

Systemtic Name: 4-[[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]amino]-3-(oxan-2-ylmethoxy)benzamide Openeye Name: 4-[[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]amino]-3-(tetrahydropyran-2-ylmethoxy)benzamide CAS Name: 4-[[amino(1,3-benzodioxol-5-ylmethylimino)methyl]amino]-3-(2-oxanylmethoxy)benzamide IUPAC Name: 4-[[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]amino]-3-(oxan-2-ylmethoxy)benzamide Traditional Name: 4-[(N'-piperonylamidino)amino]-3-(tetrahydropyran-2-ylmethoxy)benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=C(C=CC(=C2)C(=O)N)NC(=NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCOC(C1)COC2=C(C=CC(=C2)C(=O)N)NC(=NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C22H26N4O5/c23-21(27)15-5-6-17(19(10-15)29-12-16-3-1-2-8-28-16)26-22(24)25-11-14-4-7-18-20(9-14)31-13-30-18/h4-7,9-10,16H,1-3,8,11-13H2,(H2,23,27)(H3,24,25,26)