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

Systemtic Name: 7-chloranyl-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium Openeye Name: 7-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium CAS Name: 7-chloro-2-(3,5-dimethyl-1-pyrazolyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium IUPAC Name: 7-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium Traditional Name: 7-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium Formula: C20H17ClN4O MolecularWeight: 364.82818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C20H17ClN4O/c1-13-10-14(2)25(23-13)19-12-24(26)20(15-6-4-3-5-7-15)17-11-16(21)8-9-18(17)22-19/h3-11H,12H2,1-2H3