6-nitro-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 6-nitro-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(4-benzylpiperidino)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c27-21(24-10-8-17(9-11-24)12-16-4-2-1-3-5-16)14-25-15-23-20-7-6-18(26(29)30)13-19(20)22(25)28/h1-7,13,15,17H,8-12,14H2