5-tert-butyl-2-[(2R)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazin-1-yl]-1,3-benzoxazole

Systemtic Name: 5-tert-butyl-2-[(2R)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazin-1-yl]-1,3-benzoxazole Openeye Name: 5-tert-butyl-2-[(2R)-4-(3-chloro-2-pyridyl)-2-methyl-piperazin-1-yl]-1,3-benzoxazole CAS Name: 5-tert-butyl-2-[(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinyl]-1,3-benzoxazole IUPAC Name: 5-tert-butyl-2-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-1,3-benzoxazole Traditional Name: 5-tert-butyl-2-[(2R)-4-(3-chloro-2-pyridyl)-2-methyl-piperazino]-1,3-benzoxazole Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC3=C(O2)C=CC(=C3)C(C)(C)C)C4=C(C=CC=N4)Cl

Isomeric SMILES

C[C@@H]1CN(CCN1C2=NC3=C(O2)C=CC(=C3)C(C)(C)C)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C21H25ClN4O/c1-14-13-25(19-16(22)6-5-9-23-19)10-11-26(14)20-24-17-12-15(21(2,3)4)7-8-18(17)27-20/h5-9,12,14H,10-11,13H2,1-4H3/t14-/m1/s1