N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[4-[(3-methyl-1-piperidyl)methyl]phenyl]methylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[4-[(3-methyl-1-piperidinyl)methyl]phenyl]methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[[4-[(3-methylpiperidino)methyl]benzyl]amino]ethyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-17-4-3-11-26(15-17)16-19-9-7-18(8-10-19)13-24-22(28)14-25-23(29)20-5-2-6-21(12-20)27(30)31/h2,5-10,12,17H,3-4,11,13-16H2,1H3,(H,24,28)(H,25,29)