3-[2,3-bis(oxidanyl)propoxy]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-[2,3-bis(oxidanyl)propoxy]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-glyceryloxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OCC(CO)O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OCC(CO)O)C3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O4/c1-22-16-8-7-13(20)9-15(16)17(12-5-3-2-4-6-12)21-18(19(22)25)26-11-14(24)10-23/h2-9,14,18,23-24H,10-11H2,1H3