2-(1H-indol-3-yl)-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]acetic acid Formula: C19H21N5O2 MolecularWeight: 351.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O2/c25-18(26)17(15-13-22-16-6-2-1-5-14(15)16)23-9-4-10-24(12-11-23)19-20-7-3-8-21-19/h1-3,5-8,13,17,22H,4,9-12H2,(H,25,26)