2-[7-(1H-indol-2-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-(1H-indol-2-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-(1H-indol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(1H-indol-2-ylmethylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-(1H-indol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(1H-indol-2-ylmethylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C22H21N4O4- MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3=CC4=CC=CC=C4N3)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3=CC4=CC=CC=C4N3)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-26-12-15-8-14(6-7-18(15)25-19(22(26)30)10-20(27)28)21(29)23-11-16-9-13-4-2-3-5-17(13)24-16/h2-9,19,24-25H,10-12H2,1H3,(H,23,29)(H,27,28)/p-1