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

Systemtic Name: N-(2-azanylethyl)-3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanamide Openeye Name: N-(2-aminoethyl)-3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanamide CAS Name: N-(2-aminoethyl)-3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]propanamide IUPAC Name: N-(2-aminoethyl)-3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanamide Traditional Name: N-(2-aminoethyl)-3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-21(2,3)15-12-14(8-9-19(27)23-11-10-22)13-18(20(15)28)26-24-16-6-4-5-7-17(16)25-26/h4-7,12-13,28H,8-11,22H2,1-3H3,(H,23,27)