2-(5-isocyanothiophen-2-yl)-5-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(5-isocyanothiophen-2-yl)-5-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(5-isocyano-2-thienyl)-2-isopropyl-5-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]pentanenitrile CAS Name: 2-(5-isocyano-2-thiophenyl)-5-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(5-isocyanothiophen-2-yl)-5-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(5-isocyano-2-thienyl)-2-isopropyl-5-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazino]valeronitrile Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)CN3CCN(CC3)CCCC(C#N)(C4=CC=C(S4)[N+]#[C-])C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)CN3CCN(CC3)CCCC(C#N)(C4=CC=C(S4)[N+]#[C-])C(C)C

InChI

InChI=1S/C26H31N5OS/c1-19(2)26(18-27,23-8-9-25(28-4)33-23)10-5-11-30-12-14-31(15-13-30)17-24-29-21-16-20(3)6-7-22(21)32-24/h6-9,16,19H,5,10-15,17H2,1-3H3