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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-o-toluoyl-isonipecotamide Formula: C23H26BrN3O3 MolecularWeight: 472.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C23H26BrN3O3/c1-15-5-3-4-6-19(15)23(30)27-11-9-17(10-12-27)22(29)25-14-21(28)26-20-8-7-18(24)13-16(20)2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,29)(H,26,28)