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

Systemtic Name: methyl 2-[3-(methylaminomethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: methyl 2-[3-(methylaminomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-(methylaminomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(methylaminomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-(methylaminomethyl)-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-21-12-16-20(25)23(13-18(24)26-2)17-11-7-6-10-15(17)19(22-16)14-8-4-3-5-9-14/h3-11,16,21H,12-13H2,1-2H3