methyl 5-[[4-[(2-phenylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-phenylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-phenylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-(2-phenylanilino)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-phenylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-phenylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-31-24(29)23-13-12-20(32-23)18-27-14-7-15-28(17-16-27)25(30)26-22-11-6-5-10-21(22)19-8-3-2-4-9-19/h2-6,8-13H,7,14-18H2,1H3,(H,26,30)