1-[3-(4-azanyl-3-nitro-phenyl)prop-2-ynyl]-4-[(4-fluorophenyl)methyl]piperidin-4-ol

Systemtic Name: 1-[3-(4-azanyl-3-nitro-phenyl)prop-2-ynyl]-4-[(4-fluorophenyl)methyl]piperidin-4-ol Openeye Name: 1-[3-(4-amino-3-nitro-phenyl)prop-2-ynyl]-4-[(4-fluorophenyl)methyl]piperidin-4-ol CAS Name: 1-[3-(4-amino-3-nitrophenyl)prop-2-ynyl]-4-[(4-fluorophenyl)methyl]-4-piperidinol IUPAC Name: 1-[3-(4-amino-3-nitrophenyl)prop-2-ynyl]-4-[(4-fluorophenyl)methyl]piperidin-4-ol Traditional Name: 1-[3-(4-amino-3-nitro-phenyl)prop-2-ynyl]-4-(4-fluorobenzyl)piperidin-4-ol Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)O)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)O)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O3/c22-18-6-3-17(4-7-18)15-21(26)9-12-24(13-10-21)11-1-2-16-5-8-19(23)20(14-16)25(27)28/h3-8,14,26H,9-13,15,23H2