3-[1,3-benzoxazol-2-yl-(1-hexylpiperidin-4-yl)amino]propanenitrile

Systemtic Name: 3-[1,3-benzoxazol-2-yl-(1-hexylpiperidin-4-yl)amino]propanenitrile Openeye Name: 3-[1,3-benzoxazol-2-yl-(1-hexyl-4-piperidyl)amino]propanenitrile CAS Name: 3-[1,3-benzoxazol-2-yl-(1-hexyl-4-piperidinyl)amino]propanenitrile IUPAC Name: 3-[1,3-benzoxazol-2-yl-(1-hexylpiperidin-4-yl)amino]propanenitrile Traditional Name: 3-[1,3-benzoxazol-2-yl-(1-hexyl-4-piperidyl)amino]propionitrile Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)N(CCC#N)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCCCN1CCC(CC1)N(CCC#N)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H30N4O/c1-2-3-4-7-14-24-16-11-18(12-17-24)25(15-8-13-22)21-23-19-9-5-6-10-20(19)26-21/h5-6,9-10,18H,2-4,7-8,11-12,14-17H2,1H3