methyl 5-[[4-[1-(phenylcarbonyl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[1-(phenylcarbonyl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1-benzoylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(1-benzoyl-4-piperidinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1-benzoylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1-benzoylisonipecotoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O5/c1-32-25(31)22-9-8-21(33-22)18-26-12-5-13-27(17-16-26)24(30)20-10-14-28(15-11-20)23(29)19-6-3-2-4-7-19/h2-4,6-9,20H,5,10-18H2,1H3