N-(2-morpholin-4-ylphenyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-morpholin-4-ylphenyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-(2-morpholinophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-[2-(4-morpholinyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-(2-morpholin-4-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-(2-morpholinophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c31-26(28-23-12-6-7-13-24(23)29-14-16-33-17-15-29)25-18-21-10-4-5-11-22(21)19-30(25)27(32)20-8-2-1-3-9-20/h1-13,25H,14-19H2,(H,28,31)