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

Systemtic Name: methyl 2,4-dimethyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-(m-tolylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(3-methylbenzyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

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