ethyl 4-[3-oxidanylidene-1-(pyridin-3-ylamino)-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-oxidanylidene-1-(pyridin-3-ylamino)-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-oxo-3-(3-pyridylamino)isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[3-oxo-1-(3-pyridinylamino)-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-1-(pyridin-3-ylamino)-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-3-(3-pyridylamino)isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H24N4O3/c1-2-28-21(27)24-12-9-16(10-13-24)25-19(23-15-6-5-11-22-14-15)17-7-3-4-8-18(17)20(25)26/h3-8,11,14,16,19,23H,2,9-10,12-13H2,1H3