N-[3-(benzotriazol-1-ylmethyl)-4-chloranyl-phenyl]-4-(2,4-dimethylphenoxy)butanamide

Systemtic Name: N-[3-(benzotriazol-1-ylmethyl)-4-chloranyl-phenyl]-4-(2,4-dimethylphenoxy)butanamide Openeye Name: N-[3-(benzotriazol-1-ylmethyl)-4-chloro-phenyl]-4-(2,4-dimethylphenoxy)butanamide CAS Name: N-[3-(1-benzotriazolylmethyl)-4-chlorophenyl]-4-(2,4-dimethylphenoxy)butanamide IUPAC Name: N-[3-(benzotriazol-1-ylmethyl)-4-chlorophenyl]-4-(2,4-dimethylphenoxy)butanamide Traditional Name: N-[3-(benzotriazol-1-ylmethyl)-4-chloro-phenyl]-4-(2,4-dimethylphenoxy)butyramide Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C25H25ClN4O2/c1-17-9-12-24(18(2)14-17)32-13-5-8-25(31)27-20-10-11-21(26)19(15-20)16-30-23-7-4-3-6-22(23)28-29-30/h3-4,6-7,9-12,14-15H,5,8,13,16H2,1-2H3,(H,27,31)