3-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propanenitrile CAS Name: 3-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]propanenitrile IUPAC Name: 3-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]propanenitrile Traditional Name: 3-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propionitrile Formula: C19H17ClN4O MolecularWeight: 352.81748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O/c1-23(11-5-10-21)18-13-24(25)19(14-6-3-2-4-7-14)16-12-15(20)8-9-17(16)22-18/h2-4,6-9,12H,5,11,13H2,1H3