5-(2,2-dimethylchromen-6-yl)-1-(3-phenylpropyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(2,2-dimethylchromen-6-yl)-1-(3-phenylpropyl)-1,2,3,4-tetrazole Openeye Name: 5-(2,2-dimethylchromen-6-yl)-1-(3-phenylpropyl)tetrazole CAS Name: 5-(2,2-dimethyl-1-benzopyran-6-yl)-1-(3-phenylpropyl)tetrazole IUPAC Name: 5-(2,2-dimethylchromen-6-yl)-1-(3-phenylpropyl)tetrazole Traditional Name: 5-(2,2-dimethylchromen-6-yl)-1-(3-phenylpropyl)tetrazole Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2)C3=NN=NN3CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2)C3=NN=NN3CCCC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4O/c1-21(2)13-12-17-15-18(10-11-19(17)26-21)20-22-23-24-25(20)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3