ethyl 2-[(3R)-3-azanylpiperidin-1-yl]-3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate

Systemtic Name: ethyl 2-[(3R)-3-azanylpiperidin-1-yl]-3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate Openeye Name: ethyl 2-[(3R)-3-amino-1-piperidyl]-3-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate Traditional Name: 2-[(3R)-3-aminopiperidino]-4-keto-3-(2-methoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-6-carboxylic acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C(C(=N2)N3CCCC(C3)N)C4=CC=CC=C4OC)C(=O)N1

Isomeric SMILES

CCOC(=O)C1=CN2C(=C(C(=N2)N3CCC[C@H](C3)N)C4=CC=CC=C4OC)C(=O)N1

InChI

InChI=1S/C21H25N5O4/c1-3-30-21(28)15-12-26-18(20(27)23-15)17(14-8-4-5-9-16(14)29-2)19(24-26)25-10-6-7-13(22)11-25/h4-5,8-9,12-13H,3,6-7,10-11,22H2,1-2H3,(H,23,27)/t13-/m1/s1