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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C)C(=O)OC

InChI

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