4-chloranyl-1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-chloranyl-1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]butan-1-one Openeye Name: 4-chloro-1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]butan-1-one CAS Name: 4-chloro-1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-chloro-1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]butan-1-one Traditional Name: 4-chloro-1-[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidino]butan-1-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)CCCCl

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)CCCCl

InChI

InChI=1S/C22H23ClN2O3/c1-27-19-8-3-2-6-16(19)15-10-11-20-17(14-15)24-22(28-20)18-7-5-13-25(18)21(26)9-4-12-23/h2-3,6,8,10-11,14,18H,4-5,7,9,12-13H2,1H3