2-[(E)-heptadec-8-enyl]-6-(2H-1,2,3,4-tetrazol-5-yl)-1H-quinazolin-4-one

Systemtic Name: 2-[(E)-heptadec-8-enyl]-6-(2H-1,2,3,4-tetrazol-5-yl)-1H-quinazolin-4-one Openeye Name: 2-[(E)-heptadec-8-enyl]-6-(2H-tetrazol-5-yl)-1H-quinazolin-4-one CAS Name: 2-[(E)-heptadec-8-enyl]-6-(2H-tetrazol-5-yl)-1H-quinazolin-4-one IUPAC Name: 2-[(E)-heptadec-8-enyl]-6-(2H-tetrazol-5-yl)-1H-quinazolin-4-one Traditional Name: 2-[(E)-heptadec-8-enyl]-6-(2H-tetrazol-5-yl)-1H-quinazolin-4-one Formula: C26H38N6O MolecularWeight: 450.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NC(=O)C2=C(N1)C=CC(=C2)C3=NNN=N3

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=NC(=O)C2=C(N1)C=CC(=C2)C3=NNN=N3

InChI

InChI=1S/C26H38N6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-23-19-18-21(25-29-31-32-30-25)20-22(23)26(33)28-24/h9-10,18-20H,2-8,11-17H2,1H3,(H,27,28,33)(H,29,30,31,32)/b10-9+