2-[1-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[5-(p-tolyl)tetrazol-2-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[5-(4-methylphenyl)-2-tetrazolyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[5-(p-tolyl)tetrazol-2-yl]ethyl]-1H-quinazolin-4-one Formula: C18H16N6O MolecularWeight: 332.35924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)C(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H16N6O/c1-11-7-9-13(10-8-11)17-21-23-24(22-17)12(2)16-19-15-6-4-3-5-14(15)18(25)20-16/h3-10,12H,1-2H3,(H,19,20,25)