methyl 4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-3-methyl-piperidine-1-carboxylate

Systemtic Name: methyl 4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-3-methyl-piperidine-1-carboxylate Openeye Name: methyl 4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-3-methyl-piperidine-1-carboxylate CAS Name: 4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-3-methyl-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[1H-benzimidazol-2-yl-[(4-fluorophenyl)methyl]amino]-3-methylpiperidine-1-carboxylate Traditional Name: 4-[1H-benzimidazol-2-yl-(4-fluorobenzyl)amino]-3-methyl-piperidine-1-carboxylic acid methyl ester Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N(CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1CN(CCC1N(CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C22H25FN4O2/c1-15-13-26(22(28)29-2)12-11-20(15)27(14-16-7-9-17(23)10-8-16)21-24-18-5-3-4-6-19(18)25-21/h3-10,15,20H,11-14H2,1-2H3,(H,24,25)