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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one CAS Name: 2-[2-(3,4-dihydroxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Traditional Name: 2-[2-(3,4-dihydroxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=NC2=CC=CC=C2C1=O)NCCC3=CC(=C(C=C3)O)O

Isomeric SMILES

CN1CC(=NC2=CC=CC=C2C1=O)NCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H19N3O3/c1-21-11-17(20-14-5-3-2-4-13(14)18(21)24)19-9-8-12-6-7-15(22)16(23)10-12/h2-7,10,22-23H,8-9,11H2,1H3,(H,19,20)