tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)benzimidazol-5-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)benzimidazol-5-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-cyano-1-naphthyl)benzimidazol-5-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-(4-cyano-1-naphthalenyl)-5-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)benzimidazol-5-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-cyano-1-naphthyl)benzimidazol-5-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC3=C(C=C2)N=CN3C4=CC=C(C5=CC=CC=C54)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC3=C(C=C2)N=CN3C4=CC=C(C5=CC=CC=C54)C#N

InChI

InChI=1S/C28H29N5O2/c1-28(2,3)35-27(34)32-14-12-20(13-15-32)31-21-9-10-24-26(16-21)33(18-30-24)25-11-8-19(17-29)22-6-4-5-7-23(22)25/h4-11,16,18,20,31H,12-15H2,1-3H3