3-[4-[4-oxidanylidene-3-[7-(phenylmethyl)-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl]imidazolidin-1-yl]cyclohexyl]propanoic acid

Systemtic Name: 3-[4-[4-oxidanylidene-3-[7-(phenylmethyl)-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl]imidazolidin-1-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[3-(7-benzyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-4-oxo-imidazolidin-1-yl]cyclohexyl]propanoic acid CAS Name: 3-[4-[4-oxo-3-[7-(phenylmethyl)-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl]-1-imidazolidinyl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[3-(7-benzyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-4-oxoimidazolidin-1-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[3-(7-benzyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)-4-keto-imidazolidin-1-yl]cyclohexyl]propionic acid Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC(=O)O)N2CC(=O)N(C2)C3=CN=C4CCN(CCC4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CCC(=O)O)N2CC(=O)N(C2)C3=CN=C4CCN(CCC4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C27H35N5O3/c33-26-18-31(22-9-6-20(7-10-22)8-11-27(34)35)19-32(26)25-16-28-23-12-14-30(15-13-24(23)29-25)17-21-4-2-1-3-5-21/h1-5,16,20,22H,6-15,17-19H2,(H,34,35)