methyl 1-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(4-oxo-3-pentyl-phthalazine-1-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-oxo-3-pentylphthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-amyl-4-keto-phthalazine-1-carbonyl)-4-phenyl-isonipecotic acid methyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O4/c1-3-4-10-17-30-24(31)22-14-9-8-13-21(22)23(28-30)25(32)29-18-15-27(16-19-29,26(33)34-2)20-11-6-5-7-12-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3