2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H30N4O3/c27-20(25-9-5-1-2-6-10-25)16-24-11-13-26(14-12-24)21(22(28)29)18-15-23-19-8-4-3-7-17(18)19/h3-4,7-8,15,21,23H,1-2,5-6,9-14,16H2,(H,28,29)