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

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-4-27-20(26)17-14(2)18(22-15(17)3)19(25)24-11-9-23(10-12-24)13-16-5-7-21-8-6-16/h5-8,22H,4,9-13H2,1-3H3