2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(3-imidazol-1-ylpropylamino)methyl]quinolin-8-ol

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(3-imidazol-1-ylpropylamino)methyl]quinolin-8-ol Openeye Name: 2-[(1-tert-butyltetrazol-5-yl)-(3-imidazol-1-ylpropylamino)methyl]quinolin-8-ol CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)-[3-(1-imidazolyl)propylamino]methyl]-8-quinolinol IUPAC Name: 2-[(1-tert-butyltetrazol-5-yl)-(3-imidazol-1-ylpropylamino)methyl]quinolin-8-ol Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)-(3-imidazol-1-ylpropylamino)methyl]quinolin-8-ol Formula: C21H26N8O MolecularWeight: 406.48414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=NC3=C(C=CC=C3O)C=C2)NCCCN4C=CN=C4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=NC3=C(C=CC=C3O)C=C2)NCCCN4C=CN=C4

InChI

InChI=1S/C21H26N8O/c1-21(2,3)29-20(25-26-27-29)19(23-10-5-12-28-13-11-22-14-28)16-9-8-15-6-4-7-17(30)18(15)24-16/h4,6-9,11,13-14,19,23,30H,5,10,12H2,1-3H3