4-[2-[2-[(2R)-2-methylazepan-1-yl]ethyl]-1,3-benzoxazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(2R)-2-methylazepan-1-yl]ethyl]-1,3-benzoxazol-5-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[(2R)-2-methylazepan-1-yl]ethyl]-1,3-benzoxazol-5-yl]benzonitrile CAS Name: 4-[2-[2-[(2R)-2-methyl-1-azepanyl]ethyl]-1,3-benzoxazol-5-yl]benzonitrile IUPAC Name: 4-[2-[2-[(2R)-2-methylazepan-1-yl]ethyl]-1,3-benzoxazol-5-yl]benzonitrile Traditional Name: 4-[2-[2-[(2R)-2-methylazepan-1-yl]ethyl]-1,3-benzoxazol-5-yl]benzonitrile Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCN1CCC2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H]1CCCCCN1CCC2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O/c1-17-5-3-2-4-13-26(17)14-12-23-25-21-15-20(10-11-22(21)27-23)19-8-6-18(16-24)7-9-19/h6-11,15,17H,2-5,12-14H2,1H3/t17-/m1/s1