N-(4-bromanyl-3-methyl-phenyl)-1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(3,4-dichloroanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(3,4-dichloroanilino)-2-keto-ethyl]isonipecotamide Formula: C21H22BrCl2N3O2 MolecularWeight: 499.22828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl)Br

InChI

InChI=1S/C21H22BrCl2N3O2/c1-13-10-15(2-4-17(13)22)26-21(29)14-6-8-27(9-7-14)12-20(28)25-16-3-5-18(23)19(24)11-16/h2-5,10-11,14H,6-9,12H2,1H3,(H,25,28)(H,26,29)