2-[3-(methylaminomethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(methylaminomethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(methylaminomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[3-(methylaminomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-(methylaminomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(methylaminomethyl)-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CNCC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H19N3O3/c1-20-11-15-19(25)22(12-17(23)24)16-10-6-5-9-14(16)18(21-15)13-7-3-2-4-8-13/h2-10,15,20H,11-12H2,1H3,(H,23,24)