(3S)-4-(cyclopropylmethyl)-7-fluoranyl-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: (3S)-4-(cyclopropylmethyl)-7-fluoranyl-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: (3S)-4-(cyclopropylmethyl)-7-fluoro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: (3S)-4-(cyclopropylmethyl)-7-fluoro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: (3S)-4-(cyclopropylmethyl)-7-fluoro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: (3S)-4-(cyclopropylmethyl)-7-fluoro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C14H18FN3O2 MolecularWeight: 279.310023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=C(C=C2CN1CC3CC3)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CNC2=C(C=C(C=C2CN1CC3CC3)F)[N+](=O)[O-]

InChI

InChI=1S/C14H18FN3O2/c1-9-6-16-14-11(8-17(9)7-10-2-3-10)4-12(15)5-13(14)18(19)20/h4-5,9-10,16H,2-3,6-8H2,1H3/t9-/m0/s1