N-[2-(1H-indol-3-yl)ethyl]-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H25N3O2/c31-26(28-15-14-21-17-29-24-13-7-6-12-23(21)24)25-16-20-10-4-5-11-22(20)18-30(25)27(32)19-8-2-1-3-9-19/h1-13,17,25,29H,14-16,18H2,(H,28,31)