N-[5-[(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-piperidin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[5-[(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-piperidin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[5-[[2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoylamino]-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzofuran-2-carboxamide CAS Name: N-[5-[[[(1-amino-3-cyclohexyl-1-oxopropan-2-yl)amino]-oxomethyl]amino]-2-[4-[oxo(4-piperidinyl)methyl]-1,4-diazepan-1-yl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[5-[(1-amino-3-cyclohexyl-1-oxopropan-2-yl)carbamoylamino]-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[5-[[2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoylamino]-2-(4-isonipecotoyl-1,4-diazepan-1-yl)phenyl]coumarilamide Formula: C36H47N7O5 MolecularWeight: 657.80228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)NC2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4CCNCC4)NC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N)NC(=O)NC2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4CCNCC4)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C36H47N7O5/c37-33(44)29(21-24-7-2-1-3-8-24)41-36(47)39-27-11-12-30(28(23-27)40-34(45)32-22-26-9-4-5-10-31(26)48-32)42-17-6-18-43(20-19-42)35(46)25-13-15-38-16-14-25/h4-5,9-12,22-25,29,38H,1-3,6-8,13-21H2,(H2,37,44)(H,40,45)(H2,39,41,47)