3-azanyl-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one; ethanedioic acid

Systemtic Name: 3-azanyl-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one; ethanedioic acid Openeye Name: 3-amino-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one; oxalic acid CAS Name: 3-amino-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one; oxalic acid IUPAC Name: 3-amino-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one; oxalic acid Traditional Name: 3-amino-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one; oxalic acid Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=C(C=C(C=C3OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=C(C=C(C=C3OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O4.C2H2O4/c1-22-13-8-6-5-7-12(13)17(21-18(20)19(22)23)16-14(25-3)9-11(24-2)10-15(16)26-4;3-1(4)2(5)6/h5-10,18H,20H2,1-4H3;(H,3,4)(H,5,6)