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

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4O3/c1-17-21(18-8-4-5-9-19(18)24-17)22(23(29)30)27-14-12-25(13-15-27)16-20(28)26-10-6-2-3-7-11-26/h4-5,8-9,22,24H,2-3,6-7,10-16H2,1H3,(H,29,30)