1-[1-cyclopentyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[1-cyclopentyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [1-cyclopentyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [1-cyclopentyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [1-cyclopentyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [1-cyclopentyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)N)C3CCCC3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)N)C3CCCC3

InChI

InChI=1S/C21H30N4O3/c1-21(2,3)18(26)13-25-17-11-7-6-10-16(17)24(14-8-4-5-9-14)12-15(19(25)27)23-20(22)28/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H3,22,23,28)