methyl 3-[4-(7-fluoranyl-2-methyl-quinolin-4-yl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-(7-fluoranyl-2-methyl-quinolin-4-yl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(7-fluoro-2-methyl-quinoline-4-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(7-fluoro-2-methyl-4-quinolinyl)-oxomethyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(7-fluoro-2-methylquinoline-4-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(7-fluoro-2-methyl-quinoline-4-carbonyl)-2-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C26H27FN4O5 MolecularWeight: 494.514783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CC(CN(C(=O)C3)CCC(=O)OC)OCC4=CC=NC=C4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CC(CN(C(=O)C3)CCC(=O)OC)OCC4=CC=NC=C4

InChI

InChI=1S/C26H27FN4O5/c1-17-11-22(21-4-3-19(27)12-23(21)29-17)26(34)31-14-20(36-16-18-5-8-28-9-6-18)13-30(24(32)15-31)10-7-25(33)35-2/h3-6,8-9,11-12,20H,7,10,13-16H2,1-2H3