2-chloranyl-N,N-diethyl-4-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide

Systemtic Name: 2-chloranyl-N,N-diethyl-4-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide Openeye Name: 2-chloro-N,N-diethyl-4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide CAS Name: 2-chloro-N,N-diethyl-4-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]benzamide IUPAC Name: 2-chloro-N,N-diethyl-4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide Traditional Name: 2-chloro-N,N-diethyl-4-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)Cl

InChI

InChI=1S/C21H22ClN5O3/c1-3-26(4-2)20(29)15-10-9-14(13-17(15)22)23-19(28)11-12-27-21(30)16-7-5-6-8-18(16)24-25-27/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,28)