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

Systemtic Name: 5-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(1,3-benzoxazol-2-ylamino)-1-piperidyl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-(1,3-benzoxazol-2-ylamino)-1-piperidinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(1,3-benzoxazol-2-ylamino)piperidino]-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(CCCN1CCC(CC1)NC2=NC3=CC=CC=C3O2)(C#N)C4=CC=C(S4)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)NC2=NC3=CC=CC=C3O2)(C#N)C4=CC=C(S4)[N+]#[C-]

InChI

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