N-but-3-yn-2-yl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-(1-methylprop-2-ynyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: 1-methylprop-2-ynyl-(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amine Formula: C19H16N4O2 MolecularWeight: 332.35594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O2/c1-3-13(2)21-18-12-20-19(14-7-5-4-6-8-14)16-11-15(23(24)25)9-10-17(16)22-18/h1,4-11,13H,12H2,2H3,(H,21,22)