1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(3-cyanophenyl)-3-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H27N5O3/c1-29(2,3)24(35)18-34-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)32-26(27(34)36)33-28(37)31-21-13-9-10-19(16-21)17-30/h4-16,26H,18H2,1-3H3,(H2,31,33,37)