ethyl 1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1-piperidyl)phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1-piperidinyl)-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxylate Traditional Name: 1-(4-piperidinophthalazin-1-yl)isonipecotic acid ethyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C21H28N4O2/c1-2-27-21(26)16-10-14-25(15-11-16)20-18-9-5-4-8-17(18)19(22-23-20)24-12-6-3-7-13-24/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3