methyl 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3/c1-30-21(29)18-10-6-5-9-17(18)20(28)26-13-11-25(12-14-26)15-19-22-23-24-27(19)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3