methyl 5-[[4-(3-naphthalen-1-ylprop-2-ynoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3-naphthalen-1-ylprop-2-ynoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[3-(1-naphthyl)prop-2-ynoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[3-(1-naphthalenyl)-1-oxoprop-2-ynyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-naphthalen-1-ylprop-2-ynoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[3-(1-naphthyl)propioloyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H24N2O4/c1-30-25(29)23-12-11-21(31-23)18-26-14-5-15-27(17-16-26)24(28)13-10-20-8-4-7-19-6-2-3-9-22(19)20/h2-4,6-9,11-12H,5,14-18H2,1H3