N,N-diethyl-5-(5-fluoranyl-2-methoxy-phenyl)-7-methyl-8-(2-methylpropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N,N-diethyl-5-(5-fluoranyl-2-methoxy-phenyl)-7-methyl-8-(2-methylpropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N,N-diethyl-5-(5-fluoro-2-methoxy-phenyl)-7-methyl-8-(2-methylpropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N,N-diethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-8-[(2-methyl-1-oxopropyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N,N-diethyl-5-(5-fluoro-2-methoxyphenyl)-7-methyl-8-(2-methylpropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N,N-diethyl-5-(5-fluoro-2-methoxy-phenyl)-8-(isobutyrylamino)-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H34FN3O3 MolecularWeight: 455.564863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCC2=C(C1)C(=C(C=C2C3=C(C=CC(=C3)F)OC)C)NC(=O)C(C)C

Isomeric SMILES

CCN(CC)C(=O)N1CCC2=C(C1)C(=C(C=C2C3=C(C=CC(=C3)F)OC)C)NC(=O)C(C)C

InChI

InChI=1S/C26H34FN3O3/c1-7-29(8-2)26(32)30-12-11-19-20(21-14-18(27)9-10-23(21)33-6)13-17(5)24(22(19)15-30)28-25(31)16(3)4/h9-10,13-14,16H,7-8,11-12,15H2,1-6H3,(H,28,31)