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

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-benzylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-benzylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)18-15(2)19(22-16(18)3)20(25)24-12-10-23(11-13-24)14-17-8-6-5-7-9-17/h5-9,22H,4,10-14H2,1-3H3