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

Systemtic Name: 7-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 6-nitro-7-(4-p-anisylpiperazino)-1H-quinazolin-4-one Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-29-15-4-2-14(3-5-15)12-23-6-8-24(9-7-23)18-11-17-16(10-19(18)25(27)28)20(26)22-13-21-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,22,26)