N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(4-keto-1,2,3-benzotriazin-3-yl)butyramide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O2/c22-15-7-8-18-17(12-15)14(13-24-18)9-10-23-20(28)6-3-11-27-21(29)16-4-1-2-5-19(16)25-26-27/h1-2,4-5,7-8,12-13,24H,3,6,9-11H2,(H,23,28)