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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C28H30N5O2+ MolecularWeight: 468.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-2-31-16-18-32(19-17-31)23-14-12-22(13-15-23)29-27(34)26-24-10-6-7-11-25(24)28(35)33(30-26)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3,(H,29,34)/p+1