N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide Traditional Name: 2-(4-benzylpiperazino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]acetamide Formula: C26H36N4O MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CN1CCN(CC1)CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC(=O)CN1CCN(CC1)CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H36N4O/c1-26(2,30-13-12-23-10-6-7-11-24(23)19-30)21-27-25(31)20-29-16-14-28(15-17-29)18-22-8-4-3-5-9-22/h3-11H,12-21H2,1-2H3,(H,27,31)