N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-2-25-11-13-26(14-12-25)16-9-7-15(8-10-16)22-21(28)19-17-5-3-4-6-18(17)20(27)24-23-19/h3-10H,2,11-14H2,1H3,(H,22,28)(H,24,27)/p+1