4-(10-fluoranyl-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl)butan-2-one

Systemtic Name: 4-(10-fluoranyl-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl)butan-2-one Openeye Name: 4-(10-fluoro-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl)butan-2-one CAS Name: 4-(10-fluoro-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl)-2-butanone IUPAC Name: 4-(10-fluoro-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl)butan-2-one Traditional Name: 4-(10-fluoro-1,3,4,5,11,11a-hexahydro-[1,4]diazepin[1,2-a]indol-2-yl)butan-2-one Formula: C16H21FN2O MolecularWeight: 276.349143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCCN2C(C1)CC3=C2C=CC=C3F

Isomeric SMILES

CC(=O)CCN1CCCN2C(C1)CC3=C2C=CC=C3F

InChI

InChI=1S/C16H21FN2O/c1-12(20)6-9-18-7-3-8-19-13(11-18)10-14-15(17)4-2-5-16(14)19/h2,4-5,13H,3,6-11H2,1H3