5-(2-phenylethynyl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]furan-2-carboxamide

Systemtic Name: 5-(2-phenylethynyl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]furan-2-carboxamide Openeye Name: 5-(2-phenylethynyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]furan-2-carboxamide CAS Name: N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-5-(2-phenylethynyl)-2-furancarboxamide IUPAC Name: 5-(2-phenylethynyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]furan-2-carboxamide Traditional Name: 5-(2-phenylethynyl)-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]-2-furamide Formula: C29H30N4O4S MolecularWeight: 530.6379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=CC=C(O3)C#CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=CC=C(O3)C#CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H30N4O4S/c34-26(24-12-11-23(37-24)10-9-22-6-2-1-3-7-22)31-29(13-15-30-16-14-29)28(36)33-18-5-17-32(19-20-33)27(35)25-8-4-21-38-25/h1-4,6-8,11-12,21,30H,5,13-20H2,(H,31,34)