1-[3-nitro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[[2-(1-piperidylmethyl)phenyl]methylamino]phenyl]ethanone CAS Name: 1-[3-nitro-4-[[2-(1-piperidinylmethyl)phenyl]methylamino]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[[2-(piperidinomethyl)benzyl]amino]phenyl]ethanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-16(25)17-9-10-20(21(13-17)24(26)27)22-14-18-7-3-4-8-19(18)15-23-11-5-2-6-12-23/h3-4,7-10,13,22H,2,5-6,11-12,14-15H2,1H3