ethyl 4-[[4-[(2-pyrrol-1-ylphenyl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(2-pyrrol-1-ylphenyl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(2-pyrrol-1-ylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[4-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]amino]-4-piperidinyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2-pyrrol-1-ylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(2-pyrrol-1-ylbenzoyl)amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C25H33N5O4/c1-2-34-24(33)30-17-9-19(10-18-30)27-23(32)25(11-13-26-14-12-25)28-22(31)20-7-3-4-8-21(20)29-15-5-6-16-29/h3-8,15-16,19,26H,2,9-14,17-18H2,1H3,(H,27,32)(H,28,31)