2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-1-yl]acetic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)CCC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)CCC4=CC=NC=C4

InChI

InChI=1S/C22H26N4O2/c27-22(28)21(19-16-24-20-5-2-1-4-18(19)20)26-12-3-11-25(14-15-26)13-8-17-6-9-23-10-7-17/h1-2,4-7,9-10,16,21,24H,3,8,11-15H2,(H,27,28)