7-chloranyl-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: 7-chloranyl-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: 7-chloro-1-[2-(dimethylamino)-1-methyl-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride CAS Name: 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: 7-chloro-1-[2-(dimethylamino)-1-methyl-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride Formula: C20H24Cl3N3O MolecularWeight: 428.78306

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(CN(C)C)N1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C20H22ClN3O.2ClH/c1-14(13-23(2)3)24-18-10-9-16(21)11-17(18)20(22-12-19(24)25)15-7-5-4-6-8-15;;/h4-11,14H,12-13H2,1-3H3;2*1H