[1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone dihydrochloride

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone dihydrochloride Openeye Name: [1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone dihydrochloride CAS Name: [1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthalenyl)methanone dihydrochloride IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone dihydrochloride Traditional Name: [1-(1H-imidazol-5-ylmethyl)-8-nitro-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone dihydrochloride Formula: C24H23Cl2N5O3 MolecularWeight: 500.37712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)[N+](=O)[O-])CC5=CN=CN5.Cl.Cl

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)[N+](=O)[O-])CC5=CN=CN5.Cl.Cl

InChI

InChI=1S/C24H21N5O3.2ClH/c30-24(22-7-3-5-17-4-1-2-6-21(17)22)28-11-10-27(15-19-13-25-16-26-19)23-12-20(29(31)32)9-8-18(23)14-28;;/h1-9,12-13,16H,10-11,14-15H2,(H,25,26);2*1H