N-[(7-chloranyl-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(7-chloranyl-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl)methyl]-4-(2-thienyl)butanamide CAS Name: N-[[7-chloro-5-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[(7-chloro-5-pyrazin-2-yl-coumaran-2-yl)methyl]-4-(2-thienyl)butyramide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2Cl)C3=NC=CN=C3)CNC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2Cl)C3=NC=CN=C3)CNC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H20ClN3O2S/c22-18-11-14(19-13-23-6-7-24-19)9-15-10-16(27-21(15)18)12-25-20(26)5-1-3-17-4-2-8-28-17/h2,4,6-9,11,13,16H,1,3,5,10,12H2,(H,25,26)