5-[4-[2-(5-chloranylpyridin-3-yl)oxyethyl]piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(5-chloranylpyridin-3-yl)oxyethyl]piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-[(5-chloro-3-pyridyl)oxy]ethyl]piperazin-1-yl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-piperazinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(5-chloropyridin-3-yl)oxyethyl]piperazin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-[(5-chloro-3-pyridyl)oxy]ethyl]piperazino]-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C24H30ClN5OS MolecularWeight: 472.0459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CN=C2)Cl)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CN=C2)Cl)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C24H30ClN5OS/c1-19(2)24(18-26,22-5-6-23(27-3)32-22)7-4-8-29-9-11-30(12-10-29)13-14-31-21-15-20(25)16-28-17-21/h5-6,15-17,19H,4,7-14H2,1-2H3