methyl 1-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(1,4-diketo-3H-phthalazin-2-yl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H23N3O5/c1-27-18(26)19(10-5-2-6-11-19)20-15(23)9-12-22-17(25)14-8-4-3-7-13(14)16(24)21-22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,23)(H,21,24)