2-[4-methyl-3-oxidanylidene-7-(2-phenylazanylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-(2-phenylazanylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-(2-anilinoethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(2-anilinoethylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-(2-anilinoethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-(2-anilinoethylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCCNC3=CC=CC=C3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCCNC3=CC=CC=C3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H24N4O4/c1-25-13-15-11-14(7-8-17(15)24-18(21(25)29)12-19(26)27)20(28)23-10-9-22-16-5-3-2-4-6-16/h2-8,11,18,22,24H,9-10,12-13H2,1H3,(H,23,28)(H,26,27)