ethyl 2,4-dimethyl-5-[4-[1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-[1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-[1-methyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl]-1-piperidinyl]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-keto-1-methyl-2-[4-(2-pyridyl)piperazino]ethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C(C)C(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C(C)C(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C27H37N5O4/c1-5-36-27(35)23-19(3)24(29-20(23)4)26(34)31-12-9-21(10-13-31)18(2)25(33)32-16-14-30(15-17-32)22-8-6-7-11-28-22/h6-8,11,18,21,29H,5,9-10,12-17H2,1-4H3