4-(benzotriazol-1-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(isovalerylamino)phenyl]benzamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H25N5O2/c1-17(2)15-24(31)26-20-11-13-21(14-12-20)27-25(32)19-9-7-18(8-10-19)16-30-23-6-4-3-5-22(23)28-29-30/h3-14,17H,15-16H2,1-2H3,(H,26,31)(H,27,32)