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

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazino]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C31H41N3O2 MolecularWeight: 487.67614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O2/c1-31(2,3)27-14-12-25(13-15-27)29(35)33-20-18-32(19-21-33)28(24-9-5-6-10-24)30(36)34-17-16-23-8-4-7-11-26(23)22-34/h4,7-8,11-15,24,28H,5-6,9-10,16-22H2,1-3H3