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

Systemtic Name: methyl 5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O4/c1-15-19(22(28)29-3)16(2)23-20(15)21(27)25-12-8-17(9-13-25)14-18(26)24-10-6-4-5-7-11-24/h17,23H,4-14H2,1-3H3