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

Systemtic Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)-1-piperazinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazino]-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3O2)(C#N)C4=CC=C(S4)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3O2)(C#N)C4=CC=C(S4)[N+]#[C-]

InChI

InChI=1S/C25H29N5OS/c1-19(2)25(18-26,22-9-10-24(27-3)32-22)11-6-12-29-13-15-30(16-14-29)17-23-28-20-7-4-5-8-21(20)31-23/h4-5,7-10,19H,6,11-17H2,1-2H3