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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-14(2)28-21(27)18-15(3)19(23-16(18)4)20(26)25-11-9-24(10-12-25)13-17-5-7-22-8-6-17/h5-8,14,23H,9-13H2,1-4H3