N-[(4-tert-butylphenyl)methyl]-N-[1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-[1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)-1-benzyl-2-oxo-ethyl]-N-[(4-tert-butylphenyl)methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(4-tert-butylphenyl)methyl]-N-[1-[4-(diphenylmethyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-tert-butylphenyl)methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-benzhydrylpiperazino)-1-benzyl-2-keto-ethyl]-N-(4-tert-butylbenzyl)-4-methyl-3-nitro-benzamide Formula: C45H48N4O4 MolecularWeight: 708.88702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C(CC3=CC=CC=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C(CC3=CC=CC=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C45H48N4O4/c1-33-20-23-38(31-40(33)49(52)53)43(50)48(32-35-21-24-39(25-22-35)45(2,3)4)41(30-34-14-8-5-9-15-34)44(51)47-28-26-46(27-29-47)42(36-16-10-6-11-17-36)37-18-12-7-13-19-37/h5-25,31,41-42H,26-30,32H2,1-4H3