4-(3-chloranylpyridin-2-yl)-N-[4-[cyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-N-[4-[cyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide Openeye Name: 4-(3-chloro-2-pyridyl)-N-[4-[cyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide CAS Name: 4-(3-chloro-2-pyridinyl)-N-[4-[cyano(phenyl)methyl]phenyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-(3-chloropyridin-2-yl)-N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide Traditional Name: 4-(3-chloro-2-pyridyl)-N-[4-[cyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide Formula: C25H24ClN5O MolecularWeight: 445.94396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C#N)C3=CC=CC=C3)C4=C(C=CC=N4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C#N)C3=CC=CC=C3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C25H24ClN5O/c1-18-17-30(24-23(26)8-5-13-28-24)14-15-31(18)25(32)29-21-11-9-20(10-12-21)22(16-27)19-6-3-2-4-7-19/h2-13,18,22H,14-15,17H2,1H3,(H,29,32)