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

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C26H35N3O4/c1-2-17-28-25(31)22-16-10-9-15-21(22)24(27-28)26(32)33-18-23(30)29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3