N-[benzotriazol-1-yl-(5-ethyl-1,3-dioxan-5-yl)methyl]-4-chloranyl-benzamide

Systemtic Name: N-[benzotriazol-1-yl-(5-ethyl-1,3-dioxan-5-yl)methyl]-4-chloranyl-benzamide Openeye Name: N-[benzotriazol-1-yl-(5-ethyl-1,3-dioxan-5-yl)methyl]-4-chloro-benzamide CAS Name: N-[1-benzotriazolyl-(5-ethyl-1,3-dioxan-5-yl)methyl]-4-chlorobenzamide IUPAC Name: N-[benzotriazol-1-yl-(5-ethyl-1,3-dioxan-5-yl)methyl]-4-chlorobenzamide Traditional Name: N-[benzotriazol-1-yl-(5-ethyl-1,3-dioxan-5-yl)methyl]-4-chloro-benzamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COCOC1)C(NC(=O)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1(COCOC1)C(NC(=O)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21ClN4O3/c1-2-20(11-27-13-28-12-20)19(22-18(26)14-7-9-15(21)10-8-14)25-17-6-4-3-5-16(17)23-24-25/h3-10,19H,2,11-13H2,1H3,(H,22,26)