2-[4-[(2-chloranyl-4-methyl-phenyl)methylamino]phenyl]-5-pyridin-3-yl-pyrazole-3-carbonitrile

Systemtic Name: 2-[4-[(2-chloranyl-4-methyl-phenyl)methylamino]phenyl]-5-pyridin-3-yl-pyrazole-3-carbonitrile Openeye Name: 2-[4-[(2-chloro-4-methyl-phenyl)methylamino]phenyl]-5-(3-pyridyl)pyrazole-3-carbonitrile CAS Name: 2-[4-[(2-chloro-4-methylphenyl)methylamino]phenyl]-5-(3-pyridinyl)-3-pyrazolecarbonitrile IUPAC Name: 2-[4-[(2-chloro-4-methylphenyl)methylamino]phenyl]-5-pyridin-3-ylpyrazole-3-carbonitrile Traditional Name: 2-[4-[(2-chloro-4-methyl-benzyl)amino]phenyl]-5-(3-pyridyl)pyrazole-3-carbonitrile Formula: C23H18ClN5 MolecularWeight: 399.87552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC2=CC=C(C=C2)N3C(=CC(=N3)C4=CN=CC=C4)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)CNC2=CC=C(C=C2)N3C(=CC(=N3)C4=CN=CC=C4)C#N)Cl

InChI

InChI=1S/C23H18ClN5/c1-16-4-5-17(22(24)11-16)15-27-19-6-8-20(9-7-19)29-21(13-25)12-23(28-29)18-3-2-10-26-14-18/h2-12,14,27H,15H2,1H3