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

Systemtic Name: methyl 3-[2-oxidanylidene-6-(pyridin-4-ylmethoxy)-4-quinolin-6-ylcarbonyl-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-6-(4-pyridylmethoxy)-4-(quinoline-6-carbonyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[oxo(6-quinolinyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-6-(pyridin-4-ylmethoxy)-4-(quinoline-6-carbonyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-(4-pyridylmethoxy)-4-(quinoline-6-carbonyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2=CC3=C(C=C2)N=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2=CC3=C(C=C2)N=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H26N4O5/c1-33-24(31)8-12-28-14-21(34-17-18-6-10-26-11-7-18)15-29(16-23(28)30)25(32)20-4-5-22-19(13-20)3-2-9-27-22/h2-7,9-11,13,21H,8,12,14-17H2,1H3