N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-7-(6-oxidanylhex-1-ynyl)-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-7-(6-oxidanylhex-1-ynyl)-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide Openeye Name: 7-(6-hydroxyhex-1-ynyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide CAS Name: 7-(6-hydroxyhex-1-ynyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxamide IUPAC Name: 7-(6-hydroxyhex-1-ynyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide Traditional Name: 7-(6-hydroxyhex-1-ynyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxamide Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC2=C(C=C(C=C2C1)C#CCCCCO)C(=O)NC(CC3=CNC4=CC=CC=C43)CO

Isomeric SMILES

C1CCOC2=C(C=C(C=C2C1)C#CCCCCO)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)CO

InChI

InChI=1S/C28H32N2O4/c31-13-7-2-1-3-9-20-15-21-10-6-8-14-34-27(21)25(16-20)28(33)30-23(19-32)17-22-18-29-26-12-5-4-11-24(22)26/h4-5,11-12,15-16,18,23,29,31-32H,1-2,6-8,10,13-14,17,19H2,(H,30,33)/t23-/m1/s1