4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)amino]piperidin-1-yl]-2-(oxidanylideneboranylmethylideneamino)pentan-1-one

Systemtic Name: 4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)amino]piperidin-1-yl]-2-(oxidanylideneboranylmethylideneamino)pentan-1-one Openeye Name: 4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]-1-piperidyl]-2-(oxoboranylmethyleneamino)pentan-1-one CAS Name: 4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]-1-piperidinyl]-2-(oxoboranylmethylideneamino)-1-pentanone IUPAC Name: 4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]piperidin-1-yl]-2-(oxoboranylmethylideneamino)pentan-1-one Traditional Name: 2-(ketoboranylmethyleneamino)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]piperidino]pentan-1-one Formula: C31H42BN3O2 MolecularWeight: 499.49508

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC(CC(C)C)C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)CCC3=CC=CC=C3

Isomeric SMILES

B(=O)C=NC(CC(C)C)C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C31H42BN3O2/c1-24(2)16-21-35(28-14-12-27(13-15-28)11-10-26-8-6-5-7-9-26)29-17-19-34(20-18-29)31(36)30(22-25(3)4)33-23-32-37/h5-9,12-16,23,25,29-30H,10-11,17-22H2,1-4H3