N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-oxidanylidenequinazolin-3-yl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-oxidanylidenequinazolin-3-yl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-oxoquinazolin-3-yl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(4-oxo-3-quinazolinyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-(4-oxoquinazolin-3-yl)benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-ketoquinazolin-3-yl)benzamide 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=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H29N5O2/c1-3-31-14-16-32(17-15-31)23-12-13-25(20(2)18-23)30-27(34)21-8-10-22(11-9-21)33-19-29-26-7-5-4-6-24(26)28(33)35/h4-13,18-19H,3,14-17H2,1-2H3,(H,30,34)/p+1