N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-N-methyl-2-piperidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-N-methyl-2-piperidin-1-yl-pyrimidine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-chloro-N-methyl-2-(1-piperidyl)pyrimidine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methyl-2-(1-piperidinyl)-4-pyrimidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-chloro-N-methyl-2-piperidino-pyrimidine-4-carboxamide Formula: C20H23BrClN5O2 MolecularWeight: 480.78592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=NC(=NC=C2Cl)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=NC(=NC=C2Cl)N3CCCCC3

InChI

InChI=1S/C20H23BrClN5O2/c1-13-10-14(21)6-7-16(13)24-17(28)12-26(2)19(29)18-15(22)11-23-20(25-18)27-8-4-3-5-9-27/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,24,28)