N-tert-butyl-2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide

Systemtic Name: N-tert-butyl-2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide Openeye Name: N-tert-butyl-2-[[4-(1-isoquinolyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline-1-carboxamide CAS Name: N-tert-butyl-2-[[4-(1-isoquinolinyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-quinoline-1-carboxamide IUPAC Name: N-tert-butyl-2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide Traditional Name: N-tert-butyl-2-[[4-(1-isoquinolyl)piperazino]methyl]-3,4-dihydro-2H-quinoline-1-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1C(CCC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)NC(=O)N1C(CCC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C28H35N5O/c1-28(2,3)30-27(34)33-23(13-12-22-9-5-7-11-25(22)33)20-31-16-18-32(19-17-31)26-24-10-6-4-8-21(24)14-15-29-26/h4-11,14-15,23H,12-13,16-20H2,1-3H3,(H,30,34)