3-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H18N3O4- MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-10(15(21)18-11-6-2-3-7-11)20-16(22)13-9-5-4-8-12(13)14(19-20)17(23)24/h4-5,8-11H,2-3,6-7H2,1H3,(H,18,21)(H,23,24)/p-1/t10-/m1/s1