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

Systemtic Name: methyl 2,4-dimethyl-5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H23N7O3/c1-13-16(19(29)30-3)14(2)21-17(13)18(28)25-9-11-26(12-10-25)20-22-23-24-27(20)15-7-5-4-6-8-15/h4-8,21H,9-12H2,1-3H3