N-[3-[4-(1-oxidanidyl-4-oxidanylidene-1,2,4-benzotriazin-4-ium-3-yl)butylamino]propyl]acridine-4-carboxamide

Systemtic Name: N-[3-[4-(1-oxidanidyl-4-oxidanylidene-1,2,4-benzotriazin-4-ium-3-yl)butylamino]propyl]acridine-4-carboxamide Openeye Name: N-[3-[4-(1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-3-yl)butylamino]propyl]acridine-4-carboxamide CAS Name: N-[3-[4-(1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-3-yl)butylamino]propyl]-4-acridinecarboxamide IUPAC Name: N-[3-[4-(1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-3-yl)butylamino]propyl]acridine-4-carboxamide Traditional Name: N-[3-[4-(4-keto-1-oxido-1,2,4-benzotriazin-4-ium-3-yl)butylamino]propyl]acridine-4-carboxamide Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCNCCCCC4=NN(C5=CC=CC=C5[N+]4=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCNCCCCC4=NN(C5=CC=CC=C5[N+]4=O)[O-]

InChI

InChI=1S/C28H28N6O3/c35-28(22-11-7-10-21-19-20-9-1-2-12-23(20)31-27(21)22)30-18-8-17-29-16-6-5-15-26-32-34(37)25-14-4-3-13-24(25)33(26)36/h1-4,7,9-14,19,29H,5-6,8,15-18H2,(H,30,35)