2-azanyl-1-[1-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-yl]butan-1-one

Systemtic Name: 2-azanyl-1-[1-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-yl]butan-1-one Openeye Name: 2-amino-1-[1-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-yl]butan-1-one CAS Name: 2-amino-1-[1-(1H-imidazol-2-yl)-1-cyclohexa-2,4-dienyl]-1-butanone IUPAC Name: 2-amino-1-[1-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-yl]butan-1-one Traditional Name: 2-amino-1-[1-(1H-imidazol-2-yl)cyclohexa-2,4-dien-1-yl]butan-1-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1(CC=CC=C1)C2=NC=CN2)N

Isomeric SMILES

CCC(C(=O)C1(CC=CC=C1)C2=NC=CN2)N

InChI

InChI=1S/C13H17N3O/c1-2-10(14)11(17)13(6-4-3-5-7-13)12-15-8-9-16-12/h3-6,8-10H,2,7,14H2,1H3,(H,15,16)