4-methyl-2-[2-[2,4,5-tris(oxidanyl)phenyl]ethylamino]-3H-1,4-benzodiazepin-5-one

Systemtic Name: 4-methyl-2-[2-[2,4,5-tris(oxidanyl)phenyl]ethylamino]-3H-1,4-benzodiazepin-5-one Openeye Name: 4-methyl-2-[2-(2,4,5-trihydroxyphenyl)ethylamino]-3H-1,4-benzodiazepin-5-one CAS Name: 4-methyl-2-[2-(2,4,5-trihydroxyphenyl)ethylamino]-3H-1,4-benzodiazepin-5-one IUPAC Name: 4-methyl-2-[2-(2,4,5-trihydroxyphenyl)ethylamino]-3H-1,4-benzodiazepin-5-one Traditional Name: 4-methyl-2-[2-(2,4,5-trihydroxyphenyl)ethylamino]-3H-1,4-benzodiazepin-5-one Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=NC2=CC=CC=C2C1=O)NCCC3=CC(=C(C=C3O)O)O

Isomeric SMILES

CN1CC(=NC2=CC=CC=C2C1=O)NCCC3=CC(=C(C=C3O)O)O

InChI

InChI=1S/C18H19N3O4/c1-21-10-17(20-13-5-3-2-4-12(13)18(21)25)19-7-6-11-8-15(23)16(24)9-14(11)22/h2-5,8-9,22-24H,6-7,10H2,1H3,(H,19,20)