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

Systemtic Name: N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]quinoxaline-2-carboxamide Openeye Name: N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]quinoxaline-2-carboxamide CAS Name: N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]quinoxaline-2-carboxamide Traditional Name: N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]quinoxaline-2-carboxamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H28N6O3S/c32-22(20-17-27-18-5-1-2-6-19(18)28-20)29-25(8-10-26-11-9-25)24(34)31-13-4-12-30(14-15-31)23(33)21-7-3-16-35-21/h1-3,5-7,16-17,26H,4,8-15H2,(H,29,32)