tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)-6-nitro-2-propan-2-yl-benzimidazol-5-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)-6-nitro-2-propan-2-yl-benzimidazol-5-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-cyano-1-naphthyl)-2-isopropyl-6-nitro-benzimidazol-5-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-(4-cyano-1-naphthalenyl)-6-nitro-2-propan-2-yl-5-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)-6-nitro-2-propan-2-ylbenzimidazol-5-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-cyano-1-naphthyl)-2-isopropyl-6-nitro-benzimidazol-5-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H34N6O4 MolecularWeight: 554.63946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC(=C(C=C2N1C3=CC=C(C4=CC=CC=C43)C#N)NC5CCN(CC5)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=CC(=C(C=C2N1C3=CC=C(C4=CC=CC=C43)C#N)NC5CCN(CC5)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H34N6O4/c1-19(2)29-34-24-17-28(37(39)40)25(33-21-12-14-35(15-13-21)30(38)41-31(3,4)5)16-27(24)36(29)26-11-10-20(18-32)22-8-6-7-9-23(22)26/h6-11,16-17,19,21,33H,12-15H2,1-5H3