N-[1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperidin-4-yl]-5-nitro-quinolin-6-amine

Systemtic Name: N-[1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperidin-4-yl]-5-nitro-quinolin-6-amine Openeye Name: N-[1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-piperidyl]-5-nitro-quinolin-6-amine CAS Name: N-[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-piperidinyl]-5-nitro-6-quinolinamine IUPAC Name: N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitroquinolin-6-amine Traditional Name: [1-(3-fluoro-4-methoxy-benzyl)-4-piperidyl]-(5-nitro-6-quinolyl)amine Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)NC3=C(C4=C(C=C3)N=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)NC3=C(C4=C(C=C3)N=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H23FN4O3/c1-30-21-7-4-15(13-18(21)23)14-26-11-8-16(9-12-26)25-20-6-5-19-17(3-2-10-24-19)22(20)27(28)29/h2-7,10,13,16,25H,8-9,11-12,14H2,1H3