4-[8-(trifluoromethyl)-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl]butan-2-one

Systemtic Name: 4-[8-(trifluoromethyl)-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl]butan-2-one Openeye Name: 4-[8-(trifluoromethyl)-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl]butan-2-one CAS Name: 4-[8-(trifluoromethyl)-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl]-2-butanone IUPAC Name: 4-[8-(trifluoromethyl)-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl]butan-2-one Traditional Name: 4-[8-(trifluoromethyl)-1,3,4,5,11,11a-hexahydro-[1,4]diazepin[1,2-a]indol-2-yl]butan-2-one Formula: C17H21F3N2O MolecularWeight: 326.35665

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCCN2C(C1)CC3=C2C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)CCN1CCCN2C(C1)CC3=C2C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O/c1-12(23)5-8-21-6-2-7-22-15(11-21)9-13-3-4-14(10-16(13)22)17(18,19)20/h3-4,10,15H,2,5-9,11H2,1H3