(1S)-N-[[(2S)-7-chloranyl-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[(2S)-7-chloranyl-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[(2S)-7-chloro-5-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[[(2S)-7-chloro-5-pyrazin-2-yl-coumaran-2-yl]methyl]cyclohex-3-ene-1-carboxamide Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC=CN=C4)Cl

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=NC=CN=C4)Cl

InChI

InChI=1S/C20H20ClN3O2/c21-17-10-14(18-12-22-6-7-23-18)8-15-9-16(26-19(15)17)11-24-20(25)13-4-2-1-3-5-13/h1-2,6-8,10,12-13,16H,3-5,9,11H2,(H,24,25)/t13-,16+/m1/s1