2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone CAS Name: 2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-p-toluoylpiperazino)ethanone Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(C3CCCC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(C3CCCC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H35N3O2/c1-21-10-12-24(13-11-21)27(32)30-18-16-29(17-19-30)26(23-7-3-4-8-23)28(33)31-15-14-22-6-2-5-9-25(22)20-31/h2,5-6,9-13,23,26H,3-4,7-8,14-20H2,1H3