4-azanyl-5-chloranyl-N-[(3S,4R)-1-(cyanomethyl)-3-methoxy-piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 4-azanyl-5-chloranyl-N-[(3S,4R)-1-(cyanomethyl)-3-methoxy-piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-5-chloro-N-[(3S,4R)-1-(cyanomethyl)-3-methoxy-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 4-amino-5-chloro-N-[(3S,4R)-1-(cyanomethyl)-3-methoxy-4-piperidinyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-5-chloro-N-[(3S,4R)-1-(cyanomethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-5-chloro-N-[(3S,4R)-1-(cyanomethyl)-3-methoxy-4-piperidyl]coumaran-7-carboxamide Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CC#N

Isomeric SMILES

CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CC#N

InChI

InChI=1S/C17H21ClN4O3/c1-24-14-9-22(6-4-19)5-2-13(14)21-17(23)11-8-12(18)15(20)10-3-7-25-16(10)11/h8,13-14H,2-3,5-7,9,20H2,1H3,(H,21,23)/t13-,14+/m1/s1