piperidin-4-yl 4-azanyl-5-chloranyl-2-ethyl-2-[(3-methylpyrazin-2-yl)amino]-3H-1-benzofuran-7-carboxylate

Systemtic Name: piperidin-4-yl 4-azanyl-5-chloranyl-2-ethyl-2-[(3-methylpyrazin-2-yl)amino]-3H-1-benzofuran-7-carboxylate Openeye Name: 4-piperidyl 4-amino-5-chloro-2-ethyl-2-[(3-methylpyrazin-2-yl)amino]-3H-benzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2-ethyl-2-[(3-methyl-2-pyrazinyl)amino]-3H-benzofuran-7-carboxylic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 4-amino-5-chloro-2-ethyl-2-[(3-methylpyrazin-2-yl)amino]-3H-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-2-ethyl-2-[(3-methylpyrazin-2-yl)amino]coumaran-7-carboxylic acid 4-piperidyl ester Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)OC3CCNCC3)NC4=NC=CN=C4C

Isomeric SMILES

CCC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)OC3CCNCC3)NC4=NC=CN=C4C

InChI

InChI=1S/C21H26ClN5O3/c1-3-21(27-19-12(2)25-8-9-26-19)11-15-17(23)16(22)10-14(18(15)30-21)20(28)29-13-4-6-24-7-5-13/h8-10,13,24H,3-7,11,23H2,1-2H3,(H,26,27)