ethyl 3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[(4-oxo-3H-phthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[(4-oxo-3H-phthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-3H-phthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[(4-keto-3H-phthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)NC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)NC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H22N4O3/c1-2-25-18(24)22-12-7-8-13(22)10-11(9-12)19-16-14-5-3-4-6-15(14)17(23)21-20-16/h3-6,11-13H,2,7-10H2,1H3,(H,19,20)(H,21,23)