3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]cyclohexyl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexahydropyrimidin-1-yl]cyclohexyl]propanoic acid CAS Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexahydropyrimidin-1-yl]cyclohexyl]propionic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC3=C(CCNCC3)C=C2)C4CCC(CC4)CCC(=O)O

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC3=C(CCNCC3)C=C2)C4CCC(CC4)CCC(=O)O

InChI

InChI=1S/C23H33N3O3/c27-22(28)9-4-17-2-6-20(7-3-17)25-14-1-15-26(23(25)29)21-8-5-18-10-12-24-13-11-19(18)16-21/h5,8,16-17,20,24H,1-4,6-7,9-15H2,(H,27,28)