2-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-3,5-dimethyl-4H-pyrazol-3-ol

Systemtic Name: 2-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-3,5-dimethyl-4H-pyrazol-3-ol Openeye Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-3,5-dimethyl-4H-pyrazol-3-ol CAS Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-3,5-dimethyl-4H-pyrazol-3-ol IUPAC Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-3,5-dimethyl-4H-pyrazol-3-ol Traditional Name: 2-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-3,5-dimethyl-2-pyrazolin-3-ol Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(C1)(C)O)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4O2/c1-13-11-20(2,26)25(23-13)18-12-24(27)19(14-6-4-3-5-7-14)16-10-15(21)8-9-17(16)22-18/h3-10,26H,11-12H2,1-2H3