7-chloranyl-N-methyl-4-oxidanidyl-N,5-diphenyl-3H-1,4-benzodiazepin-4-ium-2-amine

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanidyl-N,5-diphenyl-3H-1,4-benzodiazepin-4-ium-2-amine Openeye Name: 7-chloro-N-methyl-4-oxido-N,5-diphenyl-3H-1,4-benzodiazepin-4-ium-2-amine CAS Name: 7-chloro-N-methyl-4-oxido-N,5-diphenyl-3H-1,4-benzodiazepin-4-ium-2-amine IUPAC Name: 7-chloro-N-methyl-4-oxido-N,5-diphenyl-3H-1,4-benzodiazepin-4-ium-2-amine Traditional Name: (7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-phenyl-amine Formula: C22H18ClN3O MolecularWeight: 375.85082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O/c1-25(18-10-6-3-7-11-18)21-15-26(27)22(16-8-4-2-5-9-16)19-14-17(23)12-13-20(19)24-21/h2-14H,15H2,1H3