1-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]heptan-1-one

Systemtic Name: 1-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]heptan-1-one Openeye Name: 1-[2-[5-(m-tolyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]heptan-1-one CAS Name: 1-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]-1-heptanone IUPAC Name: 1-[2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]heptan-1-one Traditional Name: 1-[2-[5-(m-tolyl)-1,3-benzoxazol-2-yl]pyrrolidino]heptan-1-one Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCCC1C2=NC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCCCC(=O)N1CCCC1C2=NC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H30N2O2/c1-3-4-5-6-12-24(28)27-15-8-11-22(27)25-26-21-17-20(13-14-23(21)29-25)19-10-7-9-18(2)16-19/h7,9-10,13-14,16-17,22H,3-6,8,11-12,15H2,1-2H3