4,8-dimethyl-3-phenethyl-6-phenyl-[1,2,3]triazolo[4,5-b][1,4]diazepine-5,7-dione

Systemtic Name: 4,8-dimethyl-3-phenethyl-6-phenyl-[1,2,3]triazolo[4,5-b][1,4]diazepine-5,7-dione Openeye Name: 4,8-dimethyl-3-phenethyl-6-phenyl-triazolo[4,5-b][1,4]diazepine-5,7-dione CAS Name: 4,8-dimethyl-3-phenethyl-6-phenyltriazolo[4,5-b][1,4]diazepine-5,7-dione IUPAC Name: 4,8-dimethyl-3-phenethyl-6-phenyltriazolo[4,5-b][1,4]diazepine-5,7-dione Traditional Name: 4,8-dimethyl-3-phenethyl-6-phenyl-triazolo[4,5-b][1,4]diazepine-5,7-quinone Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C2=C1N=NN2CCC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(C(=O)N(C2=C1N=NN2CCC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c1-24-18-19(26(23-22-18)14-13-15-9-5-3-6-10-15)25(2)21(28)17(20(24)27)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3