N-[5-[(1-azanyl-3-naphthalen-2-yl-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-naphthalen-2-yl-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-(2-naphthylmethyl)-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-(2-naphthalenyl)-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-naphthalen-2-yl-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-2-keto-1-(2-naphthylmethyl)ethyl]carbamoylamino]-2-(4-isonipecotoyl-1,4-diazepan-1-yl)phenyl]coumarilamide Formula: C40H43N7O5 MolecularWeight: 701.81332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCNCC2)C3=C(C=C(C=C3)NC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)C6=CC7=CC=CC=C7O6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCNCC2)C3=C(C=C(C=C3)NC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)C6=CC7=CC=CC=C7O6

InChI

InChI=1S/C40H43N7O5/c41-37(48)33(23-26-10-11-27-6-1-2-7-29(27)22-26)45-40(51)43-31-12-13-34(32(25-31)44-38(49)36-24-30-8-3-4-9-35(30)52-36)46-18-5-19-47(21-20-46)39(50)28-14-16-42-17-15-28/h1-4,6-13,22,24-25,28,33,42H,5,14-21,23H2,(H2,41,48)(H,44,49)(H2,43,45,51)