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

Systemtic Name: 5-[4-[(5-chloranyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1-piperazinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazino]-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C25H28ClN5OS MolecularWeight: 482.04072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NC3=C(O2)C=CC(=C3)Cl)(C#N)C4=CC=C(S4)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NC3=C(O2)C=CC(=C3)Cl)(C#N)C4=CC=C(S4)[N+]#[C-]

InChI

InChI=1S/C25H28ClN5OS/c1-18(2)25(17-27,22-7-8-24(28-3)33-22)9-4-10-30-11-13-31(14-12-30)16-23-29-20-15-19(26)5-6-21(20)32-23/h5-8,15,18H,4,9-14,16H2,1-2H3