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

Systemtic Name: 4-[3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitro-aniline Openeye Name: 2-nitro-4-[3-[4-(p-tolylmethyl)-1-piperidyl]prop-1-ynyl]aniline CAS Name: 4-[3-[4-[(4-methylphenyl)methyl]-1-piperidinyl]prop-1-ynyl]-2-nitroaniline IUPAC Name: 4-[3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitroaniline Traditional Name: [4-[3-[4-(4-methylbenzyl)piperidino]prop-1-ynyl]-2-nitro-phenyl]amine Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CCN(CC2)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2CCN(CC2)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O2/c1-17-4-6-19(7-5-17)15-20-10-13-24(14-11-20)12-2-3-18-8-9-21(23)22(16-18)25(26)27/h4-9,16,20H,10-15,23H2,1H3