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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-15(2)28-22(27)19-16(3)20(23-17(19)4)21(26)25-12-10-24(11-13-25)14-18-8-6-5-7-9-18/h5-9,15,23H,10-14H2,1-4H3