3-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(dicyclohexylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(dicyclohexylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C23H28N3O4- MolecularWeight: 410.48612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C23H29N3O4/c27-20(26(16-9-3-1-4-10-16)17-11-5-2-6-12-17)15-25-22(28)19-14-8-7-13-18(19)21(24-25)23(29)30/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,29,30)/p-1