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

Systemtic Name: methyl 5-[[4-(naphthalen-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-naphthylcarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-naphthalenylamino)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(naphthalen-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-naphthylcarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O4/c1-29-22(27)21-10-9-20(30-21)16-25-11-4-12-26(14-13-25)23(28)24-19-8-7-17-5-2-3-6-18(17)15-19/h2-3,5-10,15H,4,11-14,16H2,1H3,(H,24,28)