tert-butyl 4-(2-naphthalen-2-ylcarbonyl-3H-benzimidazol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-naphthalen-2-ylcarbonyl-3H-benzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(naphthalene-2-carbonyl)-3H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[2-naphthalenyl(oxo)methyl]-3H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(naphthalene-2-carbonyl)-3H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-naphthoyl)-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N4O3/c1-27(2,3)34-26(33)31-14-12-30(13-15-31)21-10-11-22-23(17-21)29-25(28-22)24(32)20-9-8-18-6-4-5-7-19(18)16-20/h4-11,16-17H,12-15H2,1-3H3,(H,28,29)