N-(2-azanylethyl)-3-[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]propanamide

Systemtic Name: N-(2-azanylethyl)-3-[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]propanamide Openeye Name: N-(2-aminoethyl)-3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]propanamide CAS Name: N-(2-aminoethyl)-3-[3-tert-butyl-5-(5-chloro-2-benzotriazolyl)-4-hydroxyphenyl]propanamide IUPAC Name: N-(2-aminoethyl)-3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanamide Traditional Name: N-(2-aminoethyl)-3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]propionamide Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)NCCN)N2N=C3C=CC(=CC3=N2)Cl)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)NCCN)N2N=C3C=CC(=CC3=N2)Cl)O

InChI

InChI=1S/C21H26ClN5O2/c1-21(2,3)15-10-13(4-7-19(28)24-9-8-23)11-18(20(15)29)27-25-16-6-5-14(22)12-17(16)26-27/h5-6,10-12,29H,4,7-9,23H2,1-3H3,(H,24,28)