3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]butanoic acid

Systemtic Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]butanoic acid Openeye Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-imidazolidin-1-yl]-1-piperidyl]butanoic acid CAS Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-1-imidazolidinyl]-1-piperidinyl]butanoic acid IUPAC Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butanoic acid Traditional Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)-2-keto-imidazolidin-1-yl]piperidino]butyric acid Formula: C22H34N6O3 MolecularWeight: 430.54376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCN(CC4)C(C)CC(=O)O

Isomeric SMILES

CCN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCN(CC4)C(C)CC(=O)O

InChI

InChI=1S/C22H34N6O3/c1-3-25-8-6-18-19(7-9-25)24-20(15-23-18)28-13-12-27(22(28)31)17-4-10-26(11-5-17)16(2)14-21(29)30/h15-17H,3-14H2,1-2H3,(H,29,30)