2-(7-chloranyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl ethanoate

Systemtic Name: 2-(7-chloranyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl ethanoate Openeye Name: 2-[7-chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]ethyl acetate CAS Name: acetic acid 2-[7-chloro-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-1-yl]ethyl ester IUPAC Name: 2-(7-chloro-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl acetate Traditional Name: acetic acid 2-[7-chloro-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]ethyl ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(=O)OCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C18H16ClN3O3/c1-12(23)25-9-8-22-16-6-5-13(19)10-14(16)18(21-11-17(22)24)15-4-2-3-7-20-15/h2-7,10H,8-9,11H2,1H3