N-methyl-2-nitro-5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]aniline

Systemtic Name: N-methyl-2-nitro-5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]aniline Openeye Name: 5-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-N-methyl-2-nitro-aniline CAS Name: N-methyl-2-nitro-5-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]aniline IUPAC Name: 5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-N-methyl-2-nitroaniline Traditional Name: [5-[3-(4-benzylpiperidino)prop-1-ynyl]-2-nitro-phenyl]-methyl-amine Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)C#CCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)C#CCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O2/c1-23-21-17-19(9-10-22(21)25(26)27)8-5-13-24-14-11-20(12-15-24)16-18-6-3-2-4-7-18/h2-4,6-7,9-10,17,20,23H,11-16H2,1H3