phenyl N-[1-(1-adamantylmethyl)-5-cyclohexyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: phenyl N-[1-(1-adamantylmethyl)-5-cyclohexyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]carbamate Openeye Name: phenyl N-[1-(1-adamantylmethyl)-5-cyclohexyl-2,4-dioxo-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(1-adamantylmethyl)-5-cyclohexyl-2,4-dioxo-1,5-benzodiazepin-3-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[1-(1-adamantylmethyl)-5-cyclohexyl-2,4-dioxo-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(1-adamantylmethyl)-5-cyclohexyl-2,4-diketo-1,5-benzodiazepin-3-yl]carbamic acid phenyl ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)OC4=CC=CC=C4)CC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCC(CC1)N2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)OC4=CC=CC=C4)CC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H39N3O4/c37-30-29(34-32(39)40-26-11-5-2-6-12-26)31(38)36(25-9-3-1-4-10-25)28-14-8-7-13-27(28)35(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h2,5-8,11-14,22-25,29H,1,3-4,9-10,15-21H2,(H,34,39)