3-azanyl-1-(oxiran-2-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; methanoic acid

Systemtic Name: 3-azanyl-1-(oxiran-2-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; methanoic acid Openeye Name: 3-amino-1-(oxiran-2-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; formic acid CAS Name: 3-amino-1-(2-oxiranylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; formic acid IUPAC Name: 3-amino-1-(oxiran-2-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; formic acid Traditional Name: 3-amino-1-glycidyl-5-phenyl-3H-1,4-benzodiazepin-2-one; formic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4.C(=O)O

Isomeric SMILES

C1C(O1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4.C(=O)O

InChI

InChI=1S/C18H17N3O2.CH2O2/c19-17-18(22)21(10-13-11-23-13)15-9-5-4-8-14(15)16(20-17)12-6-2-1-3-7-12;2-1-3/h1-9,13,17H,10-11,19H2;1H,(H,2,3)