5-(1-adamantylmethyl)-3-azanyl-1-(2-pyrrolidin-1-ylethyl)-1,5-benzodiazepine-2,4-dione

Systemtic Name: 5-(1-adamantylmethyl)-3-azanyl-1-(2-pyrrolidin-1-ylethyl)-1,5-benzodiazepine-2,4-dione Openeye Name: 5-(1-adamantylmethyl)-3-amino-1-(2-pyrrolidin-1-ylethyl)-1,5-benzodiazepine-2,4-dione CAS Name: 5-(1-adamantylmethyl)-3-amino-1-[2-(1-pyrrolidinyl)ethyl]-1,5-benzodiazepine-2,4-dione IUPAC Name: 5-(1-adamantylmethyl)-3-amino-1-(2-pyrrolidin-1-ylethyl)-1,5-benzodiazepine-2,4-dione Traditional Name: 5-(1-adamantylmethyl)-3-amino-1-(2-pyrrolidinoethyl)-1,5-benzodiazepine-2,4-quinone Formula: C26H36N4O2 MolecularWeight: 436.58964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=CC=CC=C3N(C(=O)C(C2=O)N)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(C1)CCN2C3=CC=CC=C3N(C(=O)C(C2=O)N)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36N4O2/c27-23-24(31)29(10-9-28-7-3-4-8-28)21-5-1-2-6-22(21)30(25(23)32)17-26-14-18-11-19(15-26)13-20(12-18)16-26/h1-2,5-6,18-20,23H,3-4,7-17,27H2