7-chloranyl-4-(3-methylbut-2-enyl)-5-(2-methylpropyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 7-chloranyl-4-(3-methylbut-2-enyl)-5-(2-methylpropyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 7-chloro-5-isobutyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-chloro-4-(3-methylbut-2-enyl)-5-(2-methylpropyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 7-chloro-4-(3-methylbut-2-enyl)-5-(2-methylpropyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 7-chloro-5-isobutyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C18H26ClN3O2 MolecularWeight: 351.87094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC(=CC(=C2NCCN1CC=C(C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC1C2=CC(=CC(=C2NCCN1CC=C(C)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H26ClN3O2/c1-12(2)5-7-21-8-6-20-18-15(16(21)9-13(3)4)10-14(19)11-17(18)22(23)24/h5,10-11,13,16,20H,6-9H2,1-4H3