N-[7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-benzyl-7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-oxo-quinazolin-6-yl]-2-fluoro-benzamide CAS Name: N-[7-(4-ethyl-1-piperazin-4-iumyl)-2-methyl-4-oxo-3-(phenylmethyl)-6-quinazolinyl]-2-fluorobenzamide IUPAC Name: N-[3-benzyl-7-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-oxoquinazolin-6-yl]-2-fluorobenzamide Traditional Name: N-[3-benzyl-7-(4-ethylpiperazin-4-ium-1-yl)-4-keto-2-methyl-quinazolin-6-yl]-2-fluoro-benzamide Formula: C29H31FN5O2+ MolecularWeight: 500.587143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N=C(N(C3=O)CC4=CC=CC=C4)C)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N=C(N(C3=O)CC4=CC=CC=C4)C)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C29H30FN5O2/c1-3-33-13-15-34(16-14-33)27-18-25-23(17-26(27)32-28(36)22-11-7-8-12-24(22)30)29(37)35(20(2)31-25)19-21-9-5-4-6-10-21/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,32,36)/p+1