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

Systemtic Name: 1-[5-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-1-(3-oxidanylpropyl)-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[5-(1-adamantylmethyl)-1-(3-hydroxypropyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[5-(1-adamantylmethyl)-1-(3-hydroxypropyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[5-(1-adamantylmethyl)-1-(3-hydroxypropyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[5-(1-adamantylmethyl)-1-(3-hydroxypropyl)-2,4-diketo-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C30H36N4O4 MolecularWeight: 516.63124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)CCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)CCCO

InChI

InChI=1S/C30H36N4O4/c35-12-6-11-33-24-9-4-5-10-25(24)34(19-30-16-20-13-21(17-30)15-22(14-20)18-30)28(37)26(27(33)36)32-29(38)31-23-7-2-1-3-8-23/h1-5,7-10,20-22,26,35H,6,11-19H2,(H2,31,32,38)