N-[1-[2-(cyanoamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[1-[2-(cyanoamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[1-[2-(cyanoamino)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[1-[2-(cyanoamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[1-[2-(cyanoamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[1-[2-(cyanoamino)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Formula: C27H20N6O3 MolecularWeight: 476.4861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC#N)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC#N)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H20N6O3/c28-16-29-23(34)15-33-22-13-7-5-11-19(22)24(17-8-2-1-3-9-17)31-25(27(33)36)32-26(35)21-14-18-10-4-6-12-20(18)30-21/h1-14,25,30H,15H2,(H,29,34)(H,32,35)