N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-methyl-hexanamide

Systemtic Name: N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-methyl-hexanamide Openeye Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]-2-methyl-hexanamide CAS Name: N-[2-chloro-4-[[(4-cyanoanilino)-oxomethyl]amino]-5-hydroxyphenyl]-2-methylhexanamide IUPAC Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]-2-methylhexanamide Traditional Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]-2-methyl-hexanamide Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)NC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCCCC(C)C(=O)NC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H23ClN4O3/c1-3-4-5-13(2)20(28)25-17-11-19(27)18(10-16(17)22)26-21(29)24-15-8-6-14(12-23)7-9-15/h6-11,13,27H,3-5H2,1-2H3,(H,25,28)(H2,24,26,29)