1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c27-21(16-28-20-14-23-18-4-1-2-5-19(18)24-20)26-11-3-10-25(12-13-26)15-17-6-8-22-9-7-17/h1-2,4-9,14H,3,10-13,15-16H2