ethyl 4-[4-(pyridin-3-ylmethyl)phthalazin-1-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(pyridin-3-ylmethyl)phthalazin-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-pyridylmethyl)phthalazin-1-yl]piperazine-1-carboxylate CAS Name: 4-[4-(3-pyridinylmethyl)-1-phthalazinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyridin-3-ylmethyl)phthalazin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-pyridylmethyl)phthalazin-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NN=C(C3=CC=CC=C32)CC4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-2-28-21(27)26-12-10-25(11-13-26)20-18-8-4-3-7-17(18)19(23-24-20)14-16-6-5-9-22-15-16/h3-9,15H,2,10-14H2,1H3