4-[1-(3-ethylphenyl)-1,2,3,4-tetrazol-5-yl]-N-(2-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1-(3-ethylphenyl)-1,2,3,4-tetrazol-5-yl]-N-(2-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(o-tolyl)piperazine-1-carboxamide CAS Name: 4-[1-(3-ethylphenyl)-5-tetrazolyl]-N-(2-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(o-tolyl)piperazine-1-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=NN=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=NN=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C21H25N7O/c1-3-17-8-6-9-18(15-17)28-20(23-24-25-28)26-11-13-27(14-12-26)21(29)22-19-10-5-4-7-16(19)2/h4-10,15H,3,11-14H2,1-2H3,(H,22,29)