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

Systemtic Name: ethyl 3,5-dimethyl-4-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-[2-oxo-2-(4-phenyl-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-phenylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-keto-2-(4-phenylpiperazino)ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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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=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-4-35-27(34)25-19(2)24(20(3)28-25)26(33)31-12-10-21(11-13-31)18-23(32)30-16-14-29(15-17-30)22-8-6-5-7-9-22/h5-9,21,28H,4,10-18H2,1-3H3