1-isoquinolin-1-yl-N3-[2-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-5-yl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-isoquinolin-1-yl-N3-[2-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-5-yl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-(1-isoquinolyl)-N3-[2-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-5-yl]-1,2,4-triazole-3,5-diamine CAS Name: 1-(1-isoquinolinyl)-N3-[2-(1-pyrrolidinylmethyl)-1,3-benzoxazol-5-yl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-isoquinolin-1-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-5-yl]-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(1-isoquinolyl)-1,2,4-triazol-3-yl]-[2-(pyrrolidinomethyl)-1,3-benzoxazol-5-yl]amine Formula: C23H22N8O MolecularWeight: 426.47378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=C(O2)C=CC(=C3)NC4=NN(C(=N4)N)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

C1CCN(C1)CC2=NC3=C(O2)C=CC(=C3)NC4=NN(C(=N4)N)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C23H22N8O/c24-22-28-23(29-31(22)21-17-6-2-1-5-15(17)9-10-25-21)26-16-7-8-19-18(13-16)27-20(32-19)14-30-11-3-4-12-30/h1-2,5-10,13H,3-4,11-12,14H2,(H3,24,26,28,29)