(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(4-piperidin-1-ylbutoxy)phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(4-piperidin-1-ylbutoxy)phenyl]prop-2-enenitrile Openeye Name: (Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[4-(1-piperidyl)butoxy]phenyl]prop-2-enenitrile CAS Name: (Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[4-(1-piperidinyl)butoxy]phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(4-piperidin-1-ylbutoxy)phenyl]prop-2-enenitrile Traditional Name: (Z)-2-indoxazen-3-yl-3-[2-(4-piperidinobutoxy)phenyl]acrylonitrile Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCOC2=CC=CC=C2C=C(C#N)C3=NOC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)CCCCOC2=CC=CC=C2/C=C(\C#N)/C3=NOC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O2/c26-19-21(25-22-11-3-5-13-24(22)30-27-25)18-20-10-2-4-12-23(20)29-17-9-8-16-28-14-6-1-7-15-28/h2-5,10-13,18H,1,6-9,14-17H2/b21-18+