7-bromanyl-N-but-3-yn-2-yl-5-(furan-2-yl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-bromanyl-N-but-3-yn-2-yl-5-(furan-2-yl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-bromo-5-(2-furyl)-N-(1-methylprop-2-ynyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-bromo-N-but-3-yn-2-yl-5-(2-furanyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-bromo-N-but-3-yn-2-yl-5-(furan-2-yl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [7-bromo-5-(2-furyl)-3H-1,4-benzodiazepin-2-yl]-(1-methylprop-2-ynyl)amine Formula: C17H14BrN3O MolecularWeight: 356.21656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CO3

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CO3

InChI

InChI=1S/C17H14BrN3O/c1-3-11(2)20-16-10-19-17(15-5-4-8-22-15)13-9-12(18)6-7-14(13)21-16/h1,4-9,11H,10H2,2H3,(H,20,21)