4-(3-imidazol-1-ylpropyl)-1-methyl-3-phenethyl-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 4-(3-imidazol-1-ylpropyl)-1-methyl-3-phenethyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 4-(3-imidazol-1-ylpropyl)-1-methyl-3-phenethyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 4-[3-(1-imidazolyl)propyl]-1-methyl-3-phenethyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 4-(3-imidazol-1-ylpropyl)-1-methyl-3-phenethyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 4-(3-imidazol-1-ylpropyl)-1-methyl-3-phenethyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C24H26N4O2 MolecularWeight: 402.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N(C(C1=O)CCC3=CC=CC=C3)CCCN4C=CN=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N(C(C1=O)CCC3=CC=CC=C3)CCCN4C=CN=C4

InChI

InChI=1S/C24H26N4O2/c1-26-21-11-6-5-10-20(21)23(29)28(16-7-15-27-17-14-25-18-27)22(24(26)30)13-12-19-8-3-2-4-9-19/h2-6,8-11,14,17-18,22H,7,12-13,15-16H2,1H3