7-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-(2-keto-2-morpholino-ethyl)piperazino]-6-nitro-1H-quinazolin-4-one Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5/c25-17(23-5-7-29-8-6-23)11-21-1-3-22(4-2-21)15-10-14-13(9-16(15)24(27)28)18(26)20-12-19-14/h9-10,12H,1-8,11H2,(H,19,20,26)