[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C25H35N3O3 MolecularWeight: 425.5637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O3/c1-2-27-7-9-28(10-8-27)22-5-3-21(4-6-22)26-23(29)17-31-24(30)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,18-20H,2,7-17H2,1H3,(H,26,29)