N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-(4-isonicotinoyl-1,4-diazepan-1-yl)benzamide Formula: C35H44N6O3 MolecularWeight: 596.76226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C35H44N6O3/c1-35(2,3)27-8-5-24(6-9-27)32(42)39-30-23-26(33(43)38-29-12-10-28(36)11-13-29)7-14-31(30)40-19-4-20-41(22-21-40)34(44)25-15-17-37-18-16-25/h5-9,14-18,23,28-29H,4,10-13,19-22,36H2,1-3H3,(H,38,43)(H,39,42)