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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]isonipecotamide Formula: C23H28BrN3O4 MolecularWeight: 490.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4/c1-15-12-17(24)4-6-19(15)26-23(29)16-8-10-27(11-9-16)14-22(28)25-18-5-7-20(30-2)21(13-18)31-3/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,25,28)(H,26,29)