[5-[[4-[1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-[1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-[1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[[1-[(4-chlorophenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[1-(4-chlorobenzyl)-5-keto-pyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C25H30ClN3O5 MolecularWeight: 487.9758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3CC(=O)N(C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3CC(=O)N(C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H30ClN3O5/c1-18(30)33-17-23-8-7-22(34-23)16-27-9-2-10-28(12-11-27)25(32)20-13-24(31)29(15-20)14-19-3-5-21(26)6-4-19/h3-8,20H,2,9-17H2,1H3