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

Systemtic Name: methyl 2-[4-methyl-3-oxidanylidene-7-(pyridin-3-ylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[4-methyl-3-oxo-7-(3-pyridylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[4-methyl-3-oxo-7-[oxo-(3-pyridinylmethylamino)methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methyl-3-oxo-7-(pyridin-3-ylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-4-methyl-7-(3-pyridylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)NC(C1=O)CC(=O)OC

InChI

InChI=1S/C20H22N4O4/c1-24-12-15-8-14(19(26)22-11-13-4-3-7-21-10-13)5-6-16(15)23-17(20(24)27)9-18(25)28-2/h3-8,10,17,23H,9,11-12H2,1-2H3,(H,22,26)