N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(m-tolylmethyl)piperazine-1-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-methylbenzyl)piperazine-1-carboxamide Formula: C20H21ClF3N3O MolecularWeight: 411.84845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H21ClF3N3O/c1-14-3-2-4-15(11-14)13-26-7-9-27(10-8-26)19(28)25-18-12-16(20(22,23)24)5-6-17(18)21/h2-6,11-12H,7-10,13H2,1H3,(H,25,28)