6-nitro-7-[4-(phenylmethyl)piperazin-1-yl]-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-[4-(phenylmethyl)piperazin-1-yl]-1H-quinazolin-4-one Openeye Name: 7-(4-benzylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one CAS Name: 6-nitro-7-[4-(phenylmethyl)-1-piperazinyl]-1H-quinazolin-4-one IUPAC Name: 7-(4-benzylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one Traditional Name: 7-(4-benzylpiperazino)-6-nitro-1H-quinazolin-4-one Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c25-19-15-10-18(24(26)27)17(11-16(15)20-13-21-19)23-8-6-22(7-9-23)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H,20,21,25)