2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-methylphenyl)-1,3-benzoxazole

Systemtic Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-methylphenyl)-1,3-benzoxazole Openeye Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(m-tolyl)-1,3-benzoxazole CAS Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-methylphenyl)-1,3-benzoxazole IUPAC Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-methylphenyl)-1,3-benzoxazole Traditional Name: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(m-tolyl)-1,3-benzoxazole Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=C(C=C2)OC(=N3)N4CCN5CCC4CC5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=C(C=C2)OC(=N3)N4CCN5CCC4CC5

InChI

InChI=1S/C21H23N3O/c1-15-3-2-4-16(13-15)17-5-6-20-19(14-17)22-21(25-20)24-12-11-23-9-7-18(24)8-10-23/h2-6,13-14,18H,7-12H2,1H3