2-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenoxy]ethanenitrile

Systemtic Name: 2-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenoxy]ethanenitrile Openeye Name: 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetonitrile CAS Name: 2-[4-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetonitrile Traditional Name: 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C21H19N3O3/c22-11-14-26-17-7-5-16(6-8-17)21(25)24-12-9-15(10-13-24)20-23-18-3-1-2-4-19(18)27-20/h1-8,15H,9-10,12-14H2