2-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl]-N-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide

Systemtic Name: 2-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl]-N-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide Openeye Name: 2-[5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide CAS Name: 2-[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide IUPAC Name: 2-[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide Traditional Name: 2-[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-phenyl-5H-2,3-benzodiazepin-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide Formula: C30H29N7O3 MolecularWeight: 535.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C4=NNN=N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)CC1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C4=NNN=N4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N7O3/c1-30(2,3)25(38)17-24-22-14-7-8-15-23(22)27(19-10-5-4-6-11-19)34-37(29(24)40)18-26(39)31-21-13-9-12-20(16-21)28-32-35-36-33-28/h4-16,24H,17-18H2,1-3H3,(H,31,39)(H,32,33,35,36)