2-[1-[2-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoic acid

Systemtic Name: 2-[1-[2-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclopentyl]ethanoic acid Openeye Name: 2-[1-[2-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-2-oxo-ethyl]cyclopentyl]acetic acid CAS Name: 2-[1-[2-[4-(6-nitro-4-phenyl-2-quinazolinyl)-1-piperazinyl]-2-oxoethyl]cyclopentyl]acetic acid IUPAC Name: 2-[1-[2-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid Traditional Name: 2-[1-[2-keto-2-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazino]ethyl]cyclopentyl]acetic acid Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=N3)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1CCC(C1)(CC(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=N3)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C27H29N5O5/c33-23(17-27(18-24(34)35)10-4-5-11-27)30-12-14-31(15-13-30)26-28-22-9-8-20(32(36)37)16-21(22)25(29-26)19-6-2-1-3-7-19/h1-3,6-9,16H,4-5,10-15,17-18H2,(H,34,35)