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

Systemtic Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-(1,3-benzoxazol-2-ylmethyl)piperazino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3O2)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3O2)(C#N)C4=CC=CS4

InChI

InChI=1S/C24H30N4OS/c1-19(2)24(18-25,22-9-5-16-30-22)10-6-11-27-12-14-28(15-13-27)17-23-26-20-7-3-4-8-21(20)29-23/h3-5,7-9,16,19H,6,10-15,17H2,1-2H3