N-[5-[(4-aminocarbonylcyclohexyl)methylcarbamoylamino]-2-(4-pyrrolidin-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[5-[(4-aminocarbonylcyclohexyl)methylcarbamoylamino]-2-(4-pyrrolidin-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[5-[(4-carbamoylcyclohexyl)methylcarbamoylamino]-2-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]phenyl]benzofuran-2-carboxamide CAS Name: N-[5-[[[(4-carbamoylcyclohexyl)methylamino]-oxomethyl]amino]-2-[4-[oxo(2-pyrrolidinyl)methyl]-1,4-diazepan-1-yl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[5-[(4-carbamoylcyclohexyl)methylcarbamoylamino]-2-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[5-[(4-carbamoylcyclohexyl)methylcarbamoylamino]-2-(4-prolyl-1,4-diazepan-1-yl)phenyl]coumarilamide Formula: C34H43N7O5 MolecularWeight: 629.74912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)NC(=O)NCC4CCC(CC4)C(=O)N)NC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)NC(=O)NCC4CCC(CC4)C(=O)N)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C34H43N7O5/c35-31(42)23-10-8-22(9-11-23)21-37-34(45)38-25-12-13-28(40-15-4-16-41(18-17-40)33(44)26-6-3-14-36-26)27(20-25)39-32(43)30-19-24-5-1-2-7-29(24)46-30/h1-2,5,7,12-13,19-20,22-23,26,36H,3-4,6,8-11,14-18,21H2,(H2,35,42)(H,39,43)(H2,37,38,45)