tert-butyl 4-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-(4-oxo-3H-phthalazin-1-yl)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-keto-3H-phthalazin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H28N4O4/c1-25(2,3)33-24(32)29-13-11-16(12-14-29)22(30)26-18-8-6-7-17(15-18)21-19-9-4-5-10-20(19)23(31)28-27-21/h4-10,15-16H,11-14H2,1-3H3,(H,26,30)(H,28,31)