N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-(pyrrolidin-3-ylamino)-5-(trifluoromethyl)benzamide

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-(pyrrolidin-3-ylamino)-5-(trifluoromethyl)benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-2-(pyrrolidin-3-ylamino)-5-(trifluoromethyl)benzamide CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-(3-pyrrolidinylamino)-5-(trifluoromethyl)benzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-(pyrrolidin-3-ylamino)-5-(trifluoromethyl)benzamide Traditional Name: N-(3-chloro-4-methoxy-benzyl)-2-(pyrrolidin-3-ylamino)-5-(trifluoromethyl)benzamide Formula: C20H21ClF3N3O2 MolecularWeight: 427.84785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC3CCNC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC3CCNC3)Cl

InChI

InChI=1S/C20H21ClF3N3O2/c1-29-18-5-2-12(8-16(18)21)10-26-19(28)15-9-13(20(22,23)24)3-4-17(15)27-14-6-7-25-11-14/h2-5,8-9,14,25,27H,6-7,10-11H2,1H3,(H,26,28)