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

Systemtic Name: (3S)-2-ethanoyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O2/c1-15(26)25-14-18-7-3-2-6-16(18)12-21(25)22(27)23-11-10-17-13-24-20-9-5-4-8-19(17)20/h2-9,13,21,24H,10-12,14H2,1H3,(H,23,27)/t21-/m0/s1