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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O2/c1-3-20(4-2)25(30)28-17-15-27(16-18-28)24(22-10-6-7-11-22)26(31)29-14-13-21-9-5-8-12-23(21)19-29/h5,8-9,12,20,22,24H,3-4,6-7,10-11,13-19H2,1-2H3