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

Systemtic Name: tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)-2-methyl-6-nitro-benzimidazol-5-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-cyano-1-naphthyl)-2-methyl-6-nitro-benzimidazol-5-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-(4-cyano-1-naphthalenyl)-2-methyl-6-nitro-5-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-cyanonaphthalen-1-yl)-2-methyl-6-nitrobenzimidazol-5-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-cyano-1-naphthyl)-2-methyl-6-nitro-benzimidazol-5-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H30N6O4 MolecularWeight: 526.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C29H30N6O4/c1-18-31-23-16-27(35(37)38)24(32-20-11-13-33(14-12-20)28(36)39-29(2,3)4)15-26(23)34(18)25-10-9-19(17-30)21-7-5-6-8-22(21)25/h5-10,15-16,20,32H,11-14H2,1-4H3