4-[3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitro-aniline

Systemtic Name: 4-[3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitro-aniline Openeye Name: 4-[3-[4-[(4-methoxyphenyl)methyl]-1-piperidyl]prop-1-ynyl]-2-nitro-aniline CAS Name: 4-[3-[4-[(4-methoxyphenyl)methyl]-1-piperidinyl]prop-1-ynyl]-2-nitroaniline IUPAC Name: 4-[3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitroaniline Traditional Name: [2-nitro-4-[3-(4-p-anisylpiperidino)prop-1-ynyl]phenyl]amine Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CCN(CC2)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2CCN(CC2)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c1-28-20-7-4-18(5-8-20)15-19-10-13-24(14-11-19)12-2-3-17-6-9-21(23)22(16-17)25(26)27/h4-9,16,19H,10-15,23H2,1H3