tert-butyl 3-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[4-[2-(isopropylamino)-2-keto-ethyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H36N4O4 MolecularWeight: 444.56704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C24H36N4O4/c1-17(2)25-21(29)16-26-10-12-27(13-11-26)22(30)20-14-18-8-6-7-9-19(18)15-28(20)23(31)32-24(3,4)5/h6-9,17,20H,10-16H2,1-5H3,(H,25,29)