5-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]valerate Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C24H26N4O3/c1-17-10-11-20-19(16-17)23(18-6-3-2-4-7-18)26-24(25-20)28-14-12-27(13-15-28)21(29)8-5-9-22(30)31/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,30,31)