3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-2-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-[(5-methyl-2-furanyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-[(5-methyl-2-furyl)methyl]piperazin-2-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(O1)CN2CCNC(=O)C2CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O3/c1-15-6-7-18(27-15)14-23-11-9-22-21(26)19(23)12-20(25)24-10-8-16-4-2-3-5-17(16)13-24/h2-7,19H,8-14H2,1H3,(H,22,26)