N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C23H23ClFN5O MolecularWeight: 439.913023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C23H23ClFN5O/c1-15-4-3-5-17(12-15)22-26-16(2)13-21(28-22)29-8-10-30(11-9-29)23(31)27-18-6-7-20(25)19(24)14-18/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)