5-[(4-tert-butylphenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(4-tert-butylbenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(4-tert-butylbenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]-N-(3-pyridylmethyl)benzamide Formula: C35H39N5O3 MolecularWeight: 577.71586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C35H39N5O3/c1-35(2,3)27-13-11-26(12-14-27)33(41)38-28-15-16-30(29(22-28)34(42)37-24-25-8-7-17-36-23-25)39-18-20-40(21-19-39)31-9-5-6-10-32(31)43-4/h5-17,22-23H,18-21,24H2,1-4H3,(H,37,42)(H,38,41)