1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazino]-3,3-dimethyl-butan-1-one Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C(C2CCCC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C(C2CCCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H39N3O2/c1-26(2,3)18-23(30)27-14-16-28(17-15-27)24(21-9-5-6-10-21)25(31)29-13-12-20-8-4-7-11-22(20)19-29/h4,7-8,11,21,24H,5-6,9-10,12-19H2,1-3H3