ethyl 1-(4-pyrrolidin-1-ylphthalazin-1-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-pyrrolidin-1-ylphthalazin-1-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-pyrrolidin-1-ylphthalazine-1-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(1-pyrrolidinyl)-1-phthalazinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-pyrrolidin-1-ylphthalazine-1-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4-pyrrolidinophthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCCC4

InChI

InChI=1S/C21H26N4O3/c1-2-28-21(27)15-8-7-13-25(14-15)20(26)18-16-9-3-4-10-17(16)19(23-22-18)24-11-5-6-12-24/h3-4,9-10,15H,2,5-8,11-14H2,1H3