4-(dimethylamino)-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: 4-(dimethylamino)-N-[4-(3-ketopiperazino)benzyl]-3-nitro-benzamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-23(2)17-8-5-15(11-18(17)25(28)29)20(27)22-12-14-3-6-16(7-4-14)24-10-9-21-19(26)13-24/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,26)(H,22,27)