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

Systemtic Name: methyl 5-[[4-(3-phenylcinnolin-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-(3-phenyl-4-cinnolinyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(N=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4/c1-34-27(33)23-13-12-20(35-23)18-30-14-7-15-31(17-16-30)26(32)24-21-10-5-6-11-22(21)28-29-25(24)19-8-3-2-4-9-19/h2-6,8-13H,7,14-18H2,1H3