1-[2-(1,3-benzodioxol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-methyl-butan-1-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-methyl-butan-1-one CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-methyl-1-butanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-methylbutan-1-one Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-methyl-butan-1-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CNC2=NC=C(N=C12)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)C1=CNC2=NC=C(N=C12)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3/c1-10(2)5-14(22)12-7-19-18-17(12)21-13(8-20-18)11-3-4-15-16(6-11)24-9-23-15/h3-4,6-8,10H,5,9H2,1-2H3,(H,19,20)