methyl 2-[5-[(3-imidazol-1-ylpropylamino)-quinolin-2-yl-methyl]-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: methyl 2-[5-[(3-imidazol-1-ylpropylamino)-quinolin-2-yl-methyl]-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: methyl 2-[5-[(3-imidazol-1-ylpropylamino)-(2-quinolyl)methyl]tetrazol-1-yl]acetate CAS Name: 2-[5-[[3-(1-imidazolyl)propylamino]-(2-quinolinyl)methyl]-1-tetrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(3-imidazol-1-ylpropylamino)-quinolin-2-ylmethyl]tetrazol-1-yl]acetate Traditional Name: 2-[5-[(3-imidazol-1-ylpropylamino)-(2-quinolyl)methyl]tetrazol-1-yl]acetic acid methyl ester Formula: C20H22N8O2 MolecularWeight: 406.44108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=N1)C(C2=NC3=CC=CC=C3C=C2)NCCCN4C=CN=C4

Isomeric SMILES

COC(=O)CN1C(=NN=N1)C(C2=NC3=CC=CC=C3C=C2)NCCCN4C=CN=C4

InChI

InChI=1S/C20H22N8O2/c1-30-18(29)13-28-20(24-25-26-28)19(22-9-4-11-27-12-10-21-14-27)17-8-7-15-5-2-3-6-16(15)23-17/h2-3,5-8,10,12,14,19,22H,4,9,11,13H2,1H3