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

Systemtic Name: 3-[2,3-bis(oxidanyl)propoxy]-7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-glyceryloxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O

InChI

InChI=1S/C18H17ClN2O4/c19-12-6-7-15-14(8-12)16(11-4-2-1-3-5-11)21-18(17(24)20-15)25-10-13(23)9-22/h1-8,13,18,22-23H,9-10H2,(H,20,24)