1-chloroethyl N-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-N-methyl-carbamate

Systemtic Name: 1-chloroethyl N-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-N-methyl-carbamate Openeye Name: 1-chloroethyl N-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl]-N-methyl-carbamate CAS Name: N-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl]-N-methylcarbamic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl N-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-N-methylcarbamate Traditional Name: N-[3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propyl]-N-methyl-carbamic acid 1-chloroethyl ester Formula: C22H22ClFN2O3 MolecularWeight: 416.873083

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC(OC(=O)N(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H22ClFN2O3/c1-15(23)29-21(27)26(2)11-3-10-22(18-5-7-19(24)8-6-18)20-9-4-16(13-25)12-17(20)14-28-22/h4-9,12,15H,3,10-11,14H2,1-2H3