2-[1-[2-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoate

Systemtic Name: 2-[1-[2-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-2-oxo-ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-[4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]-2-oxoethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-2-oxoethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-keto-2-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]ethyl]cyclopentyl]acetate Formula: C28H32N4O3 MolecularWeight: 472.57868

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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)CC5(CCCC5)CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)CC5(CCCC5)CC(=O)[O-]

InChI

InChI=1S/C28H32N4O3/c1-20-9-10-23-22(17-20)26(21-7-3-2-4-8-21)30-27(29-23)32-15-13-31(14-16-32)24(33)18-28(19-25(34)35)11-5-6-12-28/h2-4,7-10,17H,5-6,11-16,18-19H2,1H3,(H,34,35)