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

Systemtic Name: [5-[[4-(3-phenylcinnolin-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[oxo-(3-phenyl-4-cinnolinyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c1-20(33)35-19-23-13-12-22(36-23)18-31-14-7-15-32(17-16-31)28(34)26-24-10-5-6-11-25(24)29-30-27(26)21-8-3-2-4-9-21/h2-6,8-13H,7,14-19H2,1H3