N-[[2-(azocan-1-yl)pyridin-3-yl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)methanamine

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-3-yl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)methanamine Openeye Name: N-[[2-(azocan-1-yl)-3-pyridyl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)methanamine CAS Name: N-[[2-(1-azocanyl)-3-pyridinyl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)methanamine IUPAC Name: N-[[2-(azocan-1-yl)pyridin-3-yl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)methanamine Traditional Name: [2-(azocan-1-yl)-3-pyridyl]methyl-(benzofurazan-5-ylmethyl)amine Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=N2)CNCC3=CC4=NON=C4C=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=N2)CNCC3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H25N5O/c1-2-4-11-25(12-5-3-1)20-17(7-6-10-22-20)15-21-14-16-8-9-18-19(13-16)24-26-23-18/h6-10,13,21H,1-5,11-12,14-15H2