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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-cyclopropylcarbonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(cyclopropanecarbonyl)-N-methyl-piperidine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[cyclopropyl(oxo)methyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(cyclopropanecarbonyl)-N-methyl-isonipecotamide Formula: C20H26BrN3O3 MolecularWeight: 436.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C20H26BrN3O3/c1-13-11-16(21)5-6-17(13)22-18(25)12-23(2)19(26)15-7-9-24(10-8-15)20(27)14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,22,25)