7-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-(2-methoxy-5-methyl-benzyl)piperazino]-6-nitro-1H-quinazolin-4-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-14-3-4-20(30-2)15(9-14)12-24-5-7-25(8-6-24)18-11-17-16(10-19(18)26(28)29)21(27)23-13-22-17/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,22,23,27)