1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)ethanamine

Systemtic Name: 1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)ethanamine Openeye Name: 1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)ethanamine CAS Name: 1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)ethanamine IUPAC Name: 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)ethanamine Traditional Name: 1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl-(benzofurazan-5-ylmethyl)amine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NCC2=CC3=NON=C3C=C2)N4CCCCCCC4

Isomeric SMILES

CC1=NC(=NC=C1C(C)NCC2=CC3=NON=C3C=C2)N4CCCCCCC4

InChI

InChI=1S/C21H28N6O/c1-15(22-13-17-8-9-19-20(12-17)26-28-25-19)18-14-23-21(24-16(18)2)27-10-6-4-3-5-7-11-27/h8-9,12,14-15,22H,3-7,10-11,13H2,1-2H3