ethyl 2,4-dimethyl-5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N7O3/c1-4-31-20(30)17-14(2)18(22-15(17)3)19(29)26-10-12-27(13-11-26)21-23-24-25-28(21)16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3