1-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[7-chloro-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Formula: C25H23Cl3N4O2 MolecularWeight: 517.83472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl.[Cl-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl.[Cl-]

InChI

InChI=1S/C25H22Cl2N4O2.ClH/c1-3-30(4-2)25(33)16-8-7-13-31(15-16)23-24(32)28-21-12-11-17(26)14-19(21)22(29-23)18-9-5-6-10-20(18)27;/h5-15,23H,3-4H2,1-2H3;1H