3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

InChI

InChI=1S/C23H27N3O4/c1-13(23-9-14-6-15(10-23)8-16(7-14)11-23)24-19(27)12-26-21(28)18-5-3-2-4-17(18)20(25-26)22(29)30/h2-5,13-16H,6-12H2,1H3,(H,24,27)(H,29,30)/t13-,14?,15?,16?,23?/m1/s1