4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-quinolin-8-yl-methyl]-N,N-diethyl-benzamide hydrochloride

Systemtic Name: 4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-quinolin-8-yl-methyl]-N,N-diethyl-benzamide hydrochloride Openeye Name: 4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(8-quinolyl)methyl]-N,N-diethyl-benzamide hydrochloride CAS Name: 4-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-(8-quinolinyl)methyl]-N,N-diethylbenzamide hydrochloride IUPAC Name: 4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-quinolin-8-ylmethyl]-N,N-diethylbenzamide hydrochloride Traditional Name: 4-[[4-(4-tert-butylbenzyl)piperazino]-(8-quinolyl)methyl]-N,N-diethyl-benzamide hydrochloride Formula: C36H45ClN4O MolecularWeight: 585.2217

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=CC=C(C=C5)C(C)(C)C.Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=CC=C(C=C5)C(C)(C)C.Cl

InChI

InChI=1S/C36H44N4O.ClH/c1-6-39(7-2)35(41)30-17-15-29(16-18-30)34(32-12-8-10-28-11-9-21-37-33(28)32)40-24-22-38(23-25-40)26-27-13-19-31(20-14-27)36(3,4)5;/h8-21,34H,6-7,22-26H2,1-5H3;1H