3-azanyl-5-[4-(8-phenyloctoxy)phenyl]carbonyl-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one

Systemtic Name: 3-azanyl-5-[4-(8-phenyloctoxy)phenyl]carbonyl-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one Openeye Name: 3-amino-5-[4-(8-phenyloctoxy)benzoyl]-2-(2H-tetrazol-5-yl)chromen-4-one CAS Name: 3-amino-5-[oxo-[4-(8-phenyloctoxy)phenyl]methyl]-2-(2H-tetrazol-5-yl)-1-benzopyran-4-one IUPAC Name: 3-amino-5-[4-(8-phenyloctoxy)benzoyl]-2-(2H-tetrazol-5-yl)chromen-4-one Traditional Name: 3-amino-5-[4-(8-phenyloctoxy)benzoyl]-2-(2H-tetrazol-5-yl)chromone Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)C(=O)C3=C4C(=CC=C3)OC(=C(C4=O)N)C5=NNN=N5

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)C(=O)C3=C4C(=CC=C3)OC(=C(C4=O)N)C5=NNN=N5

InChI

InChI=1S/C31H31N5O4/c32-27-29(38)26-24(14-10-15-25(26)40-30(27)31-33-35-36-34-31)28(37)22-16-18-23(19-17-22)39-20-9-4-2-1-3-6-11-21-12-7-5-8-13-21/h5,7-8,10,12-19H,1-4,6,9,11,20,32H2,(H,33,34,35,36)