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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C4=NNN=N4)C5=CC=CC=C5

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C4=NNN=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O4/c1-16(17-6-3-2-4-7-17)14-15-35-19-12-10-18(11-13-19)24(33)20-8-5-9-21-22(20)25(34)23(28)26(36-21)27-29-31-32-30-27/h2-13,16H,14-15,28H2,1H3,(H,29,30,31,32)