5-(3-methylbutoxy)-2-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-8-propyl-chromen-4-one

Systemtic Name: 5-(3-methylbutoxy)-2-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-8-propyl-chromen-4-one Openeye Name: 2-(1-benzyltetrazol-5-yl)-5-isopentyloxy-8-propyl-chromen-4-one CAS Name: 5-(3-methylbutoxy)-2-[1-(phenylmethyl)-5-tetrazolyl]-8-propyl-1-benzopyran-4-one IUPAC Name: 2-(1-benzyltetrazol-5-yl)-5-(3-methylbutoxy)-8-propylchromen-4-one Traditional Name: 2-(1-benzyltetrazol-5-yl)-5-isoamoxy-8-propyl-chromone Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)OCCC(C)C)C(=O)C=C(O2)C3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C2C(=C(C=C1)OCCC(C)C)C(=O)C=C(O2)C3=NN=NN3CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-4-8-19-11-12-21(31-14-13-17(2)3)23-20(30)15-22(32-24(19)23)25-26-27-28-29(25)16-18-9-6-5-7-10-18/h5-7,9-12,15,17H,4,8,13-14,16H2,1-3H3