6-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-1,2-benzoxazol-3-amine

Systemtic Name: 6-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-1,2-benzoxazol-3-amine Openeye Name: 6-[[(2R,6S)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]methyl]-1,2-benzoxazol-3-amine CAS Name: 6-[[(2R,6S)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]methyl]-1,2-benzoxazol-3-amine IUPAC Name: 6-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]-1,2-benzoxazol-3-amine Traditional Name: [6-[[(2R,6S)-2,6-bis(3-methyl-2-pyridyl)piperidino]methyl]indoxazen-3-yl]amine Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CC3=CC4=C(C=C3)C(=NO4)N)C5=C(C=CC=N5)C

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CC3=CC4=C(C=C3)C(=NO4)N)C5=C(C=CC=N5)C

InChI

InChI=1S/C25H27N5O/c1-16-6-4-12-27-23(16)20-8-3-9-21(24-17(2)7-5-13-28-24)30(20)15-18-10-11-19-22(14-18)31-29-25(19)26/h4-7,10-14,20-21H,3,8-9,15H2,1-2H3,(H2,26,29)/t20-,21+