N-[3-[3-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propylamino]propyl]acridine-4-carboxamide

Systemtic Name: N-[3-[3-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propylamino]propyl]acridine-4-carboxamide Openeye Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propylamino]propyl]acridine-4-carboxamide CAS Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propylamino]propyl]-4-acridinecarboxamide IUPAC Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propylamino]propyl]acridine-4-carboxamide Traditional Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propylamino]propyl]acridine-4-carboxamide Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCNCCCN=C4N=[N+](C5=CC=CC=C5N4O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCNCCCN=C4N=[N+](C5=CC=CC=C5N4O)[O-]

InChI

InChI=1S/C27H27N7O3/c35-26(21-10-5-9-20-18-19-8-1-2-11-22(19)31-25(20)21)29-16-6-14-28-15-7-17-30-27-32-34(37)24-13-4-3-12-23(24)33(27)36/h1-5,8-13,18,28,36H,6-7,14-17H2,(H,29,35)