tert-butyl 3-[[3H-benzimidazol-5-yl(phenyl)methyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3H-benzimidazol-5-yl(phenyl)methyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3H-benzimidazol-5-yl(phenyl)methyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3H-benzimidazol-5-yl(phenyl)methyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[3H-benzimidazol-5-yl(phenyl)methyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC(C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C25H30N4O3/c1-25(2,3)32-24(31)29-13-7-10-19(15-29)23(30)28-22(17-8-5-4-6-9-17)18-11-12-20-21(14-18)27-16-26-20/h4-6,8-9,11-12,14,16,19,22H,7,10,13,15H2,1-3H3,(H,26,27)(H,28,30)