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

Systemtic Name: ethyl 5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H34N4O4/c1-4-30-22(29)19-16(2)20(23-17(19)3)21(28)26-13-11-24(12-14-26)15-18(27)25-9-7-5-6-8-10-25/h23H,4-15H2,1-3H3