1-methyl-4-[4-[2-(1-methyl-5-nitro-benzimidazol-2-yl)ethyl]piperazin-1-yl]phthalazine

Systemtic Name: 1-methyl-4-[4-[2-(1-methyl-5-nitro-benzimidazol-2-yl)ethyl]piperazin-1-yl]phthalazine Openeye Name: 1-methyl-4-[4-[2-(1-methyl-5-nitro-benzimidazol-2-yl)ethyl]piperazin-1-yl]phthalazine CAS Name: 1-methyl-4-[4-[2-(1-methyl-5-nitro-2-benzimidazolyl)ethyl]-1-piperazinyl]phthalazine IUPAC Name: 1-methyl-4-[4-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]piperazin-1-yl]phthalazine Traditional Name: 1-methyl-4-[4-[2-(1-methyl-5-nitro-benzimidazol-2-yl)ethyl]piperazino]phthalazine Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)N3CCN(CC3)CCC4=NC5=C(N4C)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)N3CCN(CC3)CCC4=NC5=C(N4C)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O2/c1-16-18-5-3-4-6-19(18)23(26-25-16)29-13-11-28(12-14-29)10-9-22-24-20-15-17(30(31)32)7-8-21(20)27(22)2/h3-8,15H,9-14H2,1-2H3