ethyl 2-[3-oxidanylidene-1-(6-pyrazol-1-ylpyridin-3-yl)carbonyl-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-1-(6-pyrazol-1-ylpyridin-3-yl)carbonyl-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-1-(6-pyrazol-1-ylpyridine-3-carbonyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[6-(1-pyrazolyl)-3-pyridinyl]methyl]-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-1-(6-pyrazol-1-ylpyridine-3-carbonyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetate Traditional Name: 2-[3-keto-1-(6-pyrazol-1-ylnicotinoyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid ethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC2=CC=CC=C2N(CC1=O)C(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCOC(=O)CN1CC2=CC=CC=C2N(CC1=O)C(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N5O4/c1-2-31-21(29)15-25-13-17-6-3-4-7-18(17)26(14-20(25)28)22(30)16-8-9-19(23-12-16)27-11-5-10-24-27/h3-12H,2,13-15H2,1H3