ethyl 3-(2-azanyl-7-bromanyl-5-pyridin-2-yl-2,3-dihydro-1,4-benzodiazepin-1-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2-azanyl-7-bromanyl-5-pyridin-2-yl-2,3-dihydro-1,4-benzodiazepin-1-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-amino-7-bromo-5-(2-pyridyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-2-oxo-propanoate CAS Name: 3-[2-amino-7-bromo-5-(2-pyridinyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-7-bromo-5-pyridin-2-yl-2,3-dihydro-1,4-benzodiazepin-1-yl)-2-oxopropanoate Traditional Name: 3-[2-amino-7-bromo-5-(2-pyridyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-2-keto-propionic acid ethyl ester Formula: C19H19BrN4O3 MolecularWeight: 431.28316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3)N

Isomeric SMILES

CCOC(=O)C(=O)CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3)N

InChI

InChI=1S/C19H19BrN4O3/c1-2-27-19(26)16(25)11-24-15-7-6-12(20)9-13(15)18(23-10-17(24)21)14-5-3-4-8-22-14/h3-9,17H,2,10-11,21H2,1H3