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

Systemtic Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxo-butyl)-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxobutyl)-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[1-(3,3-dimethyl-2-oxobutyl)-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(3-cyanophenyl)-3-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-methyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(=O)N(C2=CC=CC=C12)CC(=O)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NC(C(=O)N(C2=CC=CC=C12)CC(=O)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H25N5O3/c1-15-18-10-5-6-11-19(18)29(14-20(30)24(2,3)4)22(31)21(26-15)28-23(32)27-17-9-7-8-16(12-17)13-25/h5-12,21H,14H2,1-4H3,(H2,27,28,32)