1-[1,5-bis(3-methylbutyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[1,5-bis(3-methylbutyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-(1,5-diisopentyl-2,4-dioxo-1,5-benzodiazepin-3-yl)-3-phenyl-urea CAS Name: 1-[1,5-bis(3-methylbutyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1,5-bis(3-methylbutyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-(1,5-diisoamyl-2,4-diketo-1,5-benzodiazepin-3-yl)-3-phenyl-urea Formula: C26H34N4O3 MolecularWeight: 450.57316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)CCC(C)C

InChI

InChI=1S/C26H34N4O3/c1-18(2)14-16-29-21-12-8-9-13-22(21)30(17-15-19(3)4)25(32)23(24(29)31)28-26(33)27-20-10-6-5-7-11-20/h5-13,18-19,23H,14-17H2,1-4H3,(H2,27,28,33)