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

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

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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=CN=CC=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=CN=CC=C5

InChI

InChI=1S/C35H44N6O3/c1-35(2,3)27-10-7-24(8-11-27)32(42)39-30-22-25(33(43)38-29-14-12-28(36)13-15-29)9-16-31(30)40-18-5-19-41(21-20-40)34(44)26-6-4-17-37-23-26/h4,6-11,16-17,22-23,28-29H,5,12-15,18-21,36H2,1-3H3,(H,38,43)(H,39,42)