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

Systemtic Name: ethyl 3,5-dimethyl-4-[4-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-piperidinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C26H35N5O4 MolecularWeight: 481.5872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C26H35N5O4/c1-4-35-26(34)24-18(2)23(19(3)28-24)25(33)31-11-8-20(9-12-31)17-22(32)30-15-13-29(14-16-30)21-7-5-6-10-27-21/h5-7,10,20,28H,4,8-9,11-17H2,1-3H3