3-[3-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-[4-(adamantane-1-carbonyl)piperazino]-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C3=CC=CC=C3OC2=O)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C3=CC=CC=C3OC2=O)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N3O4/c29-22(5-6-28-20-3-1-2-4-21(20)32-24(28)31)26-7-9-27(10-8-26)23(30)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-4,17-19H,5-16H2