methyl (2Z)-2-[(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]propanoate

Systemtic Name: methyl (2Z)-2-[(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]propanoate Openeye Name: methyl (2Z)-2-[[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]propanoate CAS Name: (2Z)-2-[[7-bromo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]propanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]propanoate Traditional Name: (2Z)-2-[[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]propionic acid methyl ester Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

C/C(=N/NC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=N3)/C(=O)OC

InChI

InChI=1S/C18H16BrN5O2/c1-11(18(25)26-2)23-24-16-10-21-17(15-5-3-4-8-20-15)13-9-12(19)6-7-14(13)22-16/h3-9H,10H2,1-2H3,(H,22,24)/b23-11-