[5-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-anilino-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(2-anilino-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-17(25)27-16-20-9-8-19(28-20)14-23-10-5-11-24(13-12-23)15-21(26)22-18-6-3-2-4-7-18/h2-4,6-9H,5,10-16H2,1H3,(H,22,26)