2-nitro-4-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]aniline

Systemtic Name: 2-nitro-4-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]aniline Openeye Name: 4-[4-(4-benzyl-1-piperidyl)but-1-ynyl]-2-nitro-aniline CAS Name: 2-nitro-4-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]aniline IUPAC Name: 4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]-2-nitroaniline Traditional Name: [4-[4-(4-benzylpiperidino)but-1-ynyl]-2-nitro-phenyl]amine Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O2/c23-21-10-9-19(17-22(21)25(26)27)8-4-5-13-24-14-11-20(12-15-24)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16,23H2