N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C23H27ClN5O2+ MolecularWeight: 440.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC

InChI

InChI=1S/C23H26ClN5O2/c1-3-27-11-13-28(14-12-27)20-10-9-16(24)15-19(20)25-22(30)21-17-7-5-6-8-18(17)23(31)29(4-2)26-21/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,30)/p+1