ethyl 1-(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-isopropyl-4-oxo-phthalazine-1-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-isopropyl-4-keto-phthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C20H25N3O4/c1-4-27-20(26)14-8-7-11-22(12-14)19(25)17-15-9-5-6-10-16(15)18(24)23(21-17)13(2)3/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3