4-[3-[[3-(2H-benzotriazol-4-yloxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]benzamide

Systemtic Name: 4-[3-[[3-(2H-benzotriazol-4-yloxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]benzamide Openeye Name: 4-[3-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxy-propyl]amino]-3-methyl-butyl]benzamide CAS Name: 4-[3-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxypropyl]amino]-3-methylbutyl]benzamide IUPAC Name: 4-[3-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxypropyl]amino]-3-methylbutyl]benzamide Traditional Name: 4-[3-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxy-propyl]amino]-3-methyl-butyl]benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)C(=O)N)NCC(COC2=CC=CC3=NNN=C32)O

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)C(=O)N)NCC(COC2=CC=CC3=NNN=C32)O

InChI

InChI=1S/C21H27N5O3/c1-21(2,11-10-14-6-8-15(9-7-14)20(22)28)23-12-16(27)13-29-18-5-3-4-17-19(18)25-26-24-17/h3-9,16,23,27H,10-13H2,1-2H3,(H2,22,28)(H,24,25,26)