2-[[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]methyl]-1,3-benzoxazole-5-carbonitrile

Systemtic Name: 2-[[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]methyl]-1,3-benzoxazole-5-carbonitrile Openeye Name: 2-[[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]methyl]-1,3-benzoxazole-5-carbonitrile CAS Name: 2-[[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]methyl]-1,3-benzoxazole-5-carbonitrile IUPAC Name: 2-[[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]methyl]-1,3-benzoxazole-5-carbonitrile Traditional Name: 2-[[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazino]methyl]-1,3-benzoxazole-5-carbonitrile Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NC3=C(O2)C=CC(=C3)C#N)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NC3=C(O2)C=CC(=C3)C#N)(C#N)C4=CC=CS4

InChI

InChI=1S/C25H29N5OS/c1-19(2)25(18-27,23-5-3-14-32-23)8-4-9-29-10-12-30(13-11-29)17-24-28-21-15-20(16-26)6-7-22(21)31-24/h3,5-7,14-15,19H,4,8-13,17H2,1-2H3