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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[2-(4-methylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[2-keto-2-(p-toluidino)ethyl]isonipecotamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H26BrN3O2/c1-15-3-5-18(6-4-15)24-21(27)14-26-11-9-17(10-12-26)22(28)25-19-7-8-20(23)16(2)13-19/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)