N-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide

Systemtic Name: N-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-[2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-1-methyl-5-benzimidazolyl]-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: N-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(1-keto-4-methyl-phthalazin-2-yl)acetamide Formula: C26H30N7O3+ MolecularWeight: 488.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)C[NH+]5CCN(CC5)C(=O)C)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC4=C(C=C3)N(C(=N4)C[NH+]5CCN(CC5)C(=O)C)C

InChI

InChI=1S/C26H29N7O3/c1-17-20-6-4-5-7-21(20)26(36)33(29-17)16-25(35)27-19-8-9-23-22(14-19)28-24(30(23)3)15-31-10-12-32(13-11-31)18(2)34/h4-9,14H,10-13,15-16H2,1-3H3,(H,27,35)/p+1