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

Systemtic Name: 1-[1,5-bis(1-cyclopentylpropan-2-yl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1,5-bis(2-cyclopentyl-1-methyl-ethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1,5-bis(1-cyclopentylpropan-2-yl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1,5-bis(1-cyclopentylpropan-2-yl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[1,5-bis(2-cyclopentyl-1-methyl-ethyl)-2,4-diketo-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCC1)N2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=CC=C4)C(C)CC5CCCC5

Isomeric SMILES

CC(CC1CCCC1)N2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=CC=C4)C(C)CC5CCCC5

InChI

InChI=1S/C32H42N4O3/c1-22(20-24-12-6-7-13-24)35-27-18-10-11-19-28(27)36(23(2)21-25-14-8-9-15-25)31(38)29(30(35)37)34-32(39)33-26-16-4-3-5-17-26/h3-5,10-11,16-19,22-25,29H,6-9,12-15,20-21H2,1-2H3,(H2,33,34,39)