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

Systemtic Name: ethyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperidinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H35N3O4/c1-4-30-23(29)21-16(2)20(17(3)24-21)22(28)26-13-9-18(10-14-26)15-19(27)25-11-7-5-6-8-12-25/h18,24H,4-15H2,1-3H3