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

Systemtic Name: 3-azanyl-8-[4-(4-phenylbutoxy)phenyl]carbonyl-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one Openeye Name: 3-amino-8-[4-(4-phenylbutoxy)benzoyl]-2-(2H-tetrazol-5-yl)chromen-4-one CAS Name: 3-amino-8-[oxo-[4-(4-phenylbutoxy)phenyl]methyl]-2-(2H-tetrazol-5-yl)-1-benzopyran-4-one IUPAC Name: 3-amino-8-[4-(4-phenylbutoxy)benzoyl]-2-(2H-tetrazol-5-yl)chromen-4-one Traditional Name: 3-amino-8-[4-(4-phenylbutoxy)benzoyl]-2-(2H-tetrazol-5-yl)chromone Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC4=C3OC(=C(C4=O)N)C5=NNN=N5

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC4=C3OC(=C(C4=O)N)C5=NNN=N5

InChI

InChI=1S/C27H23N5O4/c28-22-24(34)21-11-6-10-20(25(21)36-26(22)27-29-31-32-30-27)23(33)18-12-14-19(15-13-18)35-16-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-15H,4-5,9,16,28H2,(H,29,30,31,32)